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

C18H35N — CID 6438044

IUPAC(9Z,12Z)-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-HZJYTTRNSA-N
MW265.48 g/mol
LogP5.76
Rot. Bonds14

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

(9Z,12Z)-octadeca-9,12-dien-1-amine (PubChem CID 6438044) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (9Z,12Z)-octadeca-9,12-dien-1-amine.

Molecular Properties

Compound Name(9Z,12Z)-octadeca-9,12-dien-1-amine
PubChem CID6438044
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(9Z,12Z)-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-HZJYTTRNSA-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

Oleylamine
CID 5356789
N-Oleyl-1,3-propanediamine
CID 6435904
Dectaflur
CID 20838116
13-Docosen-1-amine, (13Z)-
CID 20841368
{[(9Z)-octadec-9-en-1-yl]sulfamoyl}amine
CID 16103195
N-(cis-9-cis-12-octadecadienyl)sulfamide
CID 44614165
N-oleylsulfamide
CID 44418903
9-Octadecenylamine
CID 6258392
Dec-9-en-1-amine
CID 11378628
Undec-10-en-1-amine
CID 11768976
9-Octadecen-1-amine, hydrochloride (1:1), (9Z)-
CID 20837960
(17R,9Z)-1,17-diaminooctadec-9-ene
CID 14825482

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-octadeca-9,12-dien-1-amine?
The IUPAC name of (9Z,12Z)-octadeca-9,12-dien-1-amine (CID 6438044) is (9Z,12Z)-octadeca-9,12-dien-1-amine.
What is the SMILES notation for (9Z,12Z)-octadeca-9,12-dien-1-amine?
The canonical SMILES for (9Z,12Z)-octadeca-9,12-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCN.
What is the InChIKey of (9Z,12Z)-octadeca-9,12-dien-1-amine?
The InChIKey is GOLAKLHPPDDLST-HZJYTTRNSA-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 (9Z,12Z)-octadeca-9,12-dien-1-amine?
(9Z,12Z)-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 (9Z,12Z)-octadeca-9,12-dien-1-amine is sourced from PubChem (CID 6438044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).