(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride

C19H38ClN — CID 175800296

IUPAC(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
SMILESCCCCC/C=C\C/C=C\CCCCCCCCNC.Cl
InChIInChI=1S/C19H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3;1H/b8-7-,11-10-;
InChIKeyFQZBZXCXUNGKLD-VRQRTIRHSA-N
MW315.97 g/mol
LogP6.44
Rot. Bonds15

About (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride

(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride (PubChem CID 175800296) has the molecular formula C19H38ClN and a molecular weight of 315.97 g/mol. Its IUPAC name is (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
PubChem CID175800296
Molecular FormulaC19H38ClN
Molecular Weight315.97 g/mol
Exact Mass315.27
IUPAC Name(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
SMILESCCCCC/C=C\C/C=C\CCCCCCCCNC.Cl
InChIInChI=1S/C19H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3;1H/b8-7-,11-10-;
InChIKeyFQZBZXCXUNGKLD-VRQRTIRHSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.97
LogP ≤ 56.44
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

N-methyloctadeca-9,12-dien-1-amine
CID 72503072
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
N-methyltriacontan-1-amine
CID 19840895
N'-[(9Z,12Z)-octadeca-9,12-dienyl]methanediamine
CID 139771496
N-methyl-3-nonylicos-11-en-1-amine
CID 166036929
N-methyldodecan-1-amine;octadec-9-enamide
CID 173334466

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride?
The IUPAC name of (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride (CID 175800296) is (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride.
What is the SMILES notation for (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride?
The canonical SMILES for (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride is CCCCC/C=C\C/C=C\CCCCCCCCNC.Cl.
What is the InChIKey of (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride?
The InChIKey is FQZBZXCXUNGKLD-VRQRTIRHSA-N. The full InChI is InChI=1S/C19H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3;1H/b8-7-,11-10-;.
What are the key properties of (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride?
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride has a molecular weight of 315.97 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride is sourced from PubChem (CID 175800296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).