(15E)-octadeca-15,17-dien-6-amine

C18H35N — CID 142684215

IUPAC(15E)-octadeca-15,17-dien-6-amine
SMILESC=C/C=C/CCCCCCCCC(N)CCCCC
InChIInChI=1S/C18H35N/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h3,5,7,18H,1,4,6,8-17,19H2,2H3/b7-5+
InChIKeyVJTKKUHQINJWSF-FNORWQNLSA-N
MW265.49 g/mol
LogP5.76
Rot. Bonds14

About (15E)-octadeca-15,17-dien-6-amine

(15E)-octadeca-15,17-dien-6-amine (PubChem CID 142684215) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is (15E)-octadeca-15,17-dien-6-amine.

Molecular Properties

Compound Name(15E)-octadeca-15,17-dien-6-amine
PubChem CID142684215
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name(15E)-octadeca-15,17-dien-6-amine
SMILESC=C/C=C/CCCCCCCCC(N)CCCCC
InChIInChI=1S/C18H35N/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h3,5,7,18H,1,4,6,8-17,19H2,2H3/b7-5+
InChIKeyVJTKKUHQINJWSF-FNORWQNLSA-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 ≤ 500265.49
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(15E)-octadeca-15,17-dien-9-amine
CID 87547455
(3Z)-heptadeca-1,3,9-triene
CID 175589298
heptatriaconta-6,28-dien-19-amine
CID 123539967
hexadeca-1,3,8-triene
CID 174048674
undeca-1,3-diene;undec-1-ene
CID 159743461
dioxotitanium;tetradeca-1,3-diene
CID 174751058
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960

Frequently Asked Questions

What is the IUPAC name of (15E)-octadeca-15,17-dien-6-amine?
The IUPAC name of (15E)-octadeca-15,17-dien-6-amine (CID 142684215) is (15E)-octadeca-15,17-dien-6-amine.
What is the SMILES notation for (15E)-octadeca-15,17-dien-6-amine?
The canonical SMILES for (15E)-octadeca-15,17-dien-6-amine is C=C/C=C/CCCCCCCCC(N)CCCCC.
What is the InChIKey of (15E)-octadeca-15,17-dien-6-amine?
The InChIKey is VJTKKUHQINJWSF-FNORWQNLSA-N. The full InChI is InChI=1S/C18H35N/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h3,5,7,18H,1,4,6,8-17,19H2,2H3/b7-5+.
What are the key properties of (15E)-octadeca-15,17-dien-6-amine?
(15E)-octadeca-15,17-dien-6-amine has a molecular weight of 265.49 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 (15E)-octadeca-15,17-dien-6-amine is sourced from PubChem (CID 142684215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).