Octadecylamine

CAS 124-30-1  ·  C18H39N  ·  MW 269.5 g/mol

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3D model Octadecylamine, CAS 124-30-1, molecular formula C18H39N, molar mass 269.5 g/mol

Model views

  • Octadecylamine (CAS 124-30-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Octadecylamine (CAS 124-30-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Octadecylamine (CAS 124-30-1) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Octadecylamine (CAS 124-30-1) – 2D structure, MolGod Viewer
    2D structure

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About Octadecylamine

Octadecylamine is a chemical compound registered under number CAS 124-30-1, with the molecular formula C18H39N, and a molar mass of 269.5 g/mol.

The molecule contains 58 atoms connected by 57 chemical bonds. The full systematic IUPAC name of this compound is octadecan-1-amine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 8.5 (positive value, a lipophilic compound), polar surface area PSA = 26 Ų, 1 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC18H39N
Molar mass269.5 g/mol
IUPACoctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN
InChIKeyREYJJPSVUYRZGE-UHFFFAOYSA-N
logP (XLogP3)8.5
PSA26 Ų
HBD / HBA1 / 1
PubChem CIDCID 15793 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H304 — May be fatal if swallowed and enters airways

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H318 — Causes serious eye damage

H400 — Very toxic to aquatic life

H410 — Very toxic to aquatic life with long lasting effects

Scientific literature

Related literature

3 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 3)

2023: number of articles 120232024: number of articles 22024

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
OCTADECYLAMINE · octadecan-1-amine · 124-30-1 · 1-Octadecanamine · Stearylamine · Stearamine · 1-Octadecylamine · 1-Aminooctadecane · n-Octadecylamine · Stearyl amine · Armofilm · n-Stearylamine · Monooctadecylamine · Armeen 18D · Nissan amine AB
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/15793
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Octadecylamine (CAS 124-30-1), C18H39N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

MG-STL-124-30-1-ENGRAVED · 611,462 △ · 29 MB · SHA-256 3a8a32e97f1c8998

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Octadecylamine (CAS 124-30-1), C18H39N - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-124-30-1-NORMAL · 24,032 △ · 1 MB · SHA-256 74c0ad0a5326fdd8

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Model
Octadecylamine · 124-30-1
InChIKey
REYJJPSVUYRZGE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Octadecylamine (CAS 124-30-1)
License & provenance record
Octadecylamine (CAS 124-30-1) →
MolGod molecule record
Octadecylamine →
Source data
PubChem CID 15793 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
74c0ad0a5326fdd83c3a2ef4b5896f80bee26ec17f1589ccb8b5fbaf45c5f3d2
MD5 (STL)
8b6b9bd886225ebc6c6abe08f71d7c59
Model identifier
MG-STL-124-30-1
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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