N-methyl-N-octyldecylamine

CAS 22020-14-0  ·  C19H41N  ·  MW 283.5 g/mol

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3D model N-methyl-N-octyldecylamine, CAS 22020-14-0, molecular formula C19H41N, molar mass 283.5 g/mol
About N-methyl-N-octyldecylamine

N-methyl-N-octyldecylamine is a chemical compound registered under number CAS 22020-14-0, with the molecular formula C19H41N, and a molar mass of 283.5 g/mol.

The molecule contains 61 atoms connected by 60 chemical bonds. The full systematic IUPAC name of this compound is N-methyl-N-octyldecan-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 = 8.2 (positive value, a lipophilic compound), polar surface area PSA = 3.2 Ų, 0 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 formulaC19H41N
Molar mass283.5 g/mol
IUPACN-methyl-N-octyldecan-1-amine
SMILESCCCCCCCCCCN(C)CCCCCCCC
InChIKeyCQFRPHDWUIZNOK-UHFFFAOYSA-N
logP (XLogP3)8.2
PSA3.2 Ų
HBD / HBA0 / 1
PubChem CIDCID 89152 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS09
GHS09

H315 — Causes skin irritation

H318 — Causes serious eye damage

H400 — Very toxic to aquatic life

Scientific literature

Brak articles naukowych dla CAS 22020-14-0 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
N-Methyl-N-octyldecylamine · N-Methyl-N-octyl-1-decanamine · RefChem:830634 · 244-724-7 · 22020-14-0 · N-methyl-N-octyldecan-1-amine · 1-Decanamine, N-methyl-N-octyl- · Octyldecylmethylamine · EINECS 244-724-7 · K42CFU9PPY · SCHEMBL370429 · N-Octyl-N-methyl-1-decanamine · CQFRPHDWUIZNOK-UHFFFAOYSA-N · AKOS015915203 · NS00020490
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/89152
  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)
N-methyl-N-octyldecylamine (CAS 22020-14-0), C19H41N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

MG-STL-22020-14-0-ENGRAVED · 647,780 △ · 31 MB · SHA-256 2ada9d72f33ef8a8

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N-methyl-N-octyldecylamine (CAS 22020-14-0), C19H41N - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-22020-14-0-NORMAL · 25,280 △ · 1 MB · SHA-256 10f629bfa856b8ca

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Model
N-methyl-N-octyldecylamine · 22020-14-0
InChIKey
CQFRPHDWUIZNOK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — N-methyl-N-octyldecylamine (CAS 22020-14-0)
License & provenance record
N-methyl-N-octyldecylamine (CAS 22020-14-0) →
MolGod molecule record
N-methyl-N-octyldecylamine →
Source data
PubChem CID 89152 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
10f629bfa856b8cac7809ef9761246856968329238eb8a52f8e8f861a63ce794
MD5 (STL)
f5d5cab45ede3006bce9ccc9aea2559b
Model identifier
MG-STL-22020-14-0
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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