N,N-Bis(3-aminopropyl)dodecylamine

CAS 2372-82-9  ·  C18H41N3  ·  MW 299.5 g/mol

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3D model N,N-Bis(3-aminopropyl)dodecylamine, CAS 2372-82-9, molecular formula C18H41N3, molar mass 299.5 g/mol
About N,N-Bis(3-aminopropyl)dodecylamine

N,N-Bis(3-aminopropyl)dodecylamine is a chemical compound registered under number CAS 2372-82-9, with the molecular formula C18H41N3, and a molar mass of 299.5 g/mol.

The molecule contains 62 atoms connected by 61 chemical bonds. The full systematic IUPAC name of this compound is N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine. 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 = 4.7 (positive value, a lipophilic compound), polar surface area PSA = 55.3 Ų, 2 donors and 3 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 formulaC18H41N3
Molar mass299.5 g/mol
IUPACN'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
SMILESCCCCCCCCCCCCN(CCCN)CCCN
InChIKeyNYNKJVPRTLBJNQ-UHFFFAOYSA-N
logP (XLogP3)4.7
PSA55.3 Ų
HBD / HBA2 / 3
PubChem CIDCID 75407 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS08
GHS08
GHS09
GHS09

H301 — Toxic if swallowed

H314 — Causes severe skin burns and eye damage

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

H400 — Very toxic to aquatic life

H410 — Very toxic to aquatic life with long lasting effects

H318 — Causes serious eye damage

Scientific literature

Brak articles naukowych dla CAS 2372-82-9 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2372-82-9 · Laurylamine dipropylenediamine · N,N-bis(3-aminopropyl)dodecylamine · 1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl- · PCJ6308JUE · NN-bis-APDA · RefChem:798611 · DTXCID1021243 · N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine · N1-(3-aminopropyl)-N1-dodecylpropane-1,3-diamine · 1,3-Propanediamine,N1-(3-aminopropyl)-N1-dodecyl- · MFCD04112927 · N-(3-Aminopropyl)-N-dodecyl-1,3-propanediamine · BIS(3-AMINOPROPYL)(DODECYL)AMINE · N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
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/75407
  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,N-Bis(3-aminopropyl)dodecylamine (CAS 2372-82-9), C18H41N3 - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

MG-STL-2372-82-9-ENGRAVED · 644,440 △ · 31 MB · SHA-256 ff7298f447db97c3

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N,N-Bis(3-aminopropyl)dodecylamine (CAS 2372-82-9), C18H41N3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-2372-82-9-NORMAL · 25,696 △ · 1 MB · SHA-256 6c385ad6f8db1fb1

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Model
N,N-Bis(3-aminopropyl)dodecylamine · 2372-82-9
InChIKey
NYNKJVPRTLBJNQ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — N,N-Bis(3-aminopropyl)dodecylamine (CAS 2372-82-9)
License & provenance record
N,N-Bis(3-aminopropyl)dodecylamine (CAS 2372-82-9) →
MolGod molecule record
N,N-Bis(3-aminopropyl)dodecylamine →
Source data
PubChem CID 75407 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
6c385ad6f8db1fb1e69ce1da0d97ebebe11210ecda62504b68ade94da2dcc9d6
MD5 (STL)
92c91f9fbeb90f061418ea2d12fe2e57
Model identifier
MG-STL-2372-82-9
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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