octadeca-10,12,14-trien-1-amine

C18H33N — CID 91215405

IUPACoctadeca-10,12,14-trien-1-amine
SMILESCCCC=CC=CC=CCCCCCCCCCN
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h4-9H,2-3,10-19H2,1H3
InChIKeyRYBDIFRGBFJAQR-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.53
Rot. Bonds13

About octadeca-10,12,14-trien-1-amine

octadeca-10,12,14-trien-1-amine (PubChem CID 91215405) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is octadeca-10,12,14-trien-1-amine.

Molecular Properties

Compound Nameoctadeca-10,12,14-trien-1-amine
PubChem CID91215405
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameoctadeca-10,12,14-trien-1-amine
SMILESCCCC=CC=CC=CCCCCCCCCCN
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h4-9H,2-3,10-19H2,1H3
InChIKeyRYBDIFRGBFJAQR-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.53
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 octadeca-10,12,14-trien-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

Related Compounds

(6E)-octadeca-4,6-diene
CID 173243345
(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
(22E)-heptatetraconta-22,24-diene
CID 56629131
(10E,12Z)-hexadeca-10,12-dienal
CID 10922550

Frequently Asked Questions

What is the IUPAC name of octadeca-10,12,14-trien-1-amine?
The IUPAC name of octadeca-10,12,14-trien-1-amine (CID 91215405) is octadeca-10,12,14-trien-1-amine.
What is the SMILES notation for octadeca-10,12,14-trien-1-amine?
The canonical SMILES for octadeca-10,12,14-trien-1-amine is CCCC=CC=CC=CCCCCCCCCCN.
What is the InChIKey of octadeca-10,12,14-trien-1-amine?
The InChIKey is RYBDIFRGBFJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h4-9H,2-3,10-19H2,1H3.
What are the key properties of octadeca-10,12,14-trien-1-amine?
octadeca-10,12,14-trien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.53, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-10,12,14-trien-1-amine is sourced from PubChem (CID 91215405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).