(9Z,12Z)-octadeca-9,12-dien-4-amine

C18H35N — CID 140562602

IUPAC(9Z,12Z)-octadeca-9,12-dien-4-amine
SMILESCCCCC/C=C\C/C=C\CCCCC(N)CCC
InChIInChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(19)16-4-2/h8-9,11-12,18H,3-7,10,13-17,19H2,1-2H3/b9-8-,12-11-
InChIKeyPGPVTDWMDFURTK-MURFETPASA-N
MW265.48 g/mol
LogP5.76
Rot. Bonds13

About (9Z,12Z)-octadeca-9,12-dien-4-amine

(9Z,12Z)-octadeca-9,12-dien-4-amine (PubChem CID 140562602) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (9Z,12Z)-octadeca-9,12-dien-4-amine.

Molecular Properties

Compound Name(9Z,12Z)-octadeca-9,12-dien-4-amine
PubChem CID140562602
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(9Z,12Z)-octadeca-9,12-dien-4-amine
SMILESCCCCC/C=C\C/C=C\CCCCC(N)CCC
InChIInChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(19)16-4-2/h8-9,11-12,18H,3-7,10,13-17,19H2,1-2H3/b9-8-,12-11-
InChIKeyPGPVTDWMDFURTK-MURFETPASA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
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

heptatriaconta-6,28-dien-19-amine
CID 123539967
19-propyltritriaconta-6,9,24-triene
CID 54372361
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(4R)-tridecan-4-amine
CID 150614684
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
CID 56944147
heptadeca-5,8,11-triene
CID 54101473

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-octadeca-9,12-dien-4-amine?
The IUPAC name of (9Z,12Z)-octadeca-9,12-dien-4-amine (CID 140562602) is (9Z,12Z)-octadeca-9,12-dien-4-amine.
What is the SMILES notation for (9Z,12Z)-octadeca-9,12-dien-4-amine?
The canonical SMILES for (9Z,12Z)-octadeca-9,12-dien-4-amine is CCCCC/C=C\C/C=C\CCCCC(N)CCC.
What is the InChIKey of (9Z,12Z)-octadeca-9,12-dien-4-amine?
The InChIKey is PGPVTDWMDFURTK-MURFETPASA-N. The full InChI is InChI=1S/C18H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18(19)16-4-2/h8-9,11-12,18H,3-7,10,13-17,19H2,1-2H3/b9-8-,12-11-.
What are the key properties of (9Z,12Z)-octadeca-9,12-dien-4-amine?
(9Z,12Z)-octadeca-9,12-dien-4-amine has a molecular weight of 265.48 g/mol, XLogP of 5.76, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-octadeca-9,12-dien-4-amine is sourced from PubChem (CID 140562602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).