(1E,3E)-octadeca-1,3-dien-1-amine

C18H35N — CID 15607138

IUPAC(1E,3E)-octadeca-1,3-dien-1-amine
SMILESCCCCCCCCCCCCCC/C=C/C=C/N
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-18H,2-14,19H2,1H3/b16-15+,18-17+
InChIKeyLFRDLMTVSOZZBX-GKIXDJALSA-N
MW265.48 g/mol
LogP6.11
Rot. Bonds14

About (1E,3E)-octadeca-1,3-dien-1-amine

(1E,3E)-octadeca-1,3-dien-1-amine (PubChem CID 15607138) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (1E,3E)-octadeca-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-octadeca-1,3-dien-1-amine
PubChem CID15607138
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(1E,3E)-octadeca-1,3-dien-1-amine
SMILESCCCCCCCCCCCCCC/C=C/C=C/N
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-18H,2-14,19H2,1H3/b16-15+,18-17+
InChIKeyLFRDLMTVSOZZBX-GKIXDJALSA-N
XLogP6.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E)-octadeca-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-octadeca-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-octadeca-1,3-dien-1-amine (CID 15607138) is (1E,3E)-octadeca-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-octadeca-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-octadeca-1,3-dien-1-amine is CCCCCCCCCCCCCC/C=C/C=C/N.
What is the InChIKey of (1E,3E)-octadeca-1,3-dien-1-amine?
The InChIKey is LFRDLMTVSOZZBX-GKIXDJALSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-18H,2-14,19H2,1H3/b16-15+,18-17+.
What are the key properties of (1E,3E)-octadeca-1,3-dien-1-amine?
(1E,3E)-octadeca-1,3-dien-1-amine has a molecular weight of 265.48 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-octadeca-1,3-dien-1-amine is sourced from PubChem (CID 15607138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).