(9E,12E)-octadeca-9,12-dien-1-amine

C18H35N — CID 6504752

IUPAC(9E,12E)-octadeca-9,12-dien-1-amine
SMILESCCCCC/C=C/C/C=C/CCCCCCCCN
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+
InChIKeyGOLAKLHPPDDLST-AVQMFFATSA-N
MW265.48 g/mol
LogP5.76
Rot. Bonds14

About (9E,12E)-octadeca-9,12-dien-1-amine

(9E,12E)-octadeca-9,12-dien-1-amine (PubChem CID 6504752) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (9E,12E)-octadeca-9,12-dien-1-amine.

Molecular Properties

Compound Name(9E,12E)-octadeca-9,12-dien-1-amine
PubChem CID6504752
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(9E,12E)-octadeca-9,12-dien-1-amine
SMILESCCCCC/C=C/C/C=C/CCCCCCCCN
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+
InChIKeyGOLAKLHPPDDLST-AVQMFFATSA-N
XLogP5.76
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 ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(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
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718

Frequently Asked Questions

What is the IUPAC name of (9E,12E)-octadeca-9,12-dien-1-amine?
The IUPAC name of (9E,12E)-octadeca-9,12-dien-1-amine (CID 6504752) is (9E,12E)-octadeca-9,12-dien-1-amine.
What is the SMILES notation for (9E,12E)-octadeca-9,12-dien-1-amine?
The canonical SMILES for (9E,12E)-octadeca-9,12-dien-1-amine is CCCCC/C=C/C/C=C/CCCCCCCCN.
What is the InChIKey of (9E,12E)-octadeca-9,12-dien-1-amine?
The InChIKey is GOLAKLHPPDDLST-AVQMFFATSA-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/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+.
What are the key properties of (9E,12E)-octadeca-9,12-dien-1-amine?
(9E,12E)-octadeca-9,12-dien-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.76, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-octadeca-9,12-dien-1-amine is sourced from PubChem (CID 6504752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).