9-methyloctadeca-4,8-dien-2-amine

C19H37N — CID 87493496

IUPAC9-methyloctadeca-4,8-dien-2-amine
SMILESCCCCCCCCCC(C)=CCCC=CCC(C)N
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-9-12-15-18(2)16-13-10-11-14-17-19(3)20/h11,14,16,19H,4-10,12-13,15,17,20H2,1-3H3
InChIKeyLUZOFBMJHCKURR-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.15
Rot. Bonds13

About 9-methyloctadeca-4,8-dien-2-amine

9-methyloctadeca-4,8-dien-2-amine (PubChem CID 87493496) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 9-methyloctadeca-4,8-dien-2-amine.

Molecular Properties

Compound Name9-methyloctadeca-4,8-dien-2-amine
PubChem CID87493496
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name9-methyloctadeca-4,8-dien-2-amine
SMILESCCCCCCCCCC(C)=CCCC=CCC(C)N
InChIInChI=1S/C19H37N/c1-4-5-6-7-8-9-12-15-18(2)16-13-10-11-14-17-19(3)20/h11,14,16,19H,4-10,12-13,15,17,20H2,1-3H3
InChIKeyLUZOFBMJHCKURR-UHFFFAOYSA-N
XLogP6.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.15
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'}

Analyze 9-methyloctadeca-4,8-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-dodec-4-en-2-amine
CID 55254669
(2R,3S)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
CID 91332697
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylnon-3-en-1-amine
CID 79593569
1-ethoxy-4-methylundec-3-ene
CID 72800816
4-methylheptadec-3-ene
CID 59169426
(E)-1-bromo-5-methylicos-4-ene
CID 172556960

Frequently Asked Questions

What is the IUPAC name of 9-methyloctadeca-4,8-dien-2-amine?
The IUPAC name of 9-methyloctadeca-4,8-dien-2-amine (CID 87493496) is 9-methyloctadeca-4,8-dien-2-amine.
What is the SMILES notation for 9-methyloctadeca-4,8-dien-2-amine?
The canonical SMILES for 9-methyloctadeca-4,8-dien-2-amine is CCCCCCCCCC(C)=CCCC=CCC(C)N.
What is the InChIKey of 9-methyloctadeca-4,8-dien-2-amine?
The InChIKey is LUZOFBMJHCKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-5-6-7-8-9-12-15-18(2)16-13-10-11-14-17-19(3)20/h11,14,16,19H,4-10,12-13,15,17,20H2,1-3H3.
What are the key properties of 9-methyloctadeca-4,8-dien-2-amine?
9-methyloctadeca-4,8-dien-2-amine has a molecular weight of 279.51 g/mol, XLogP of 6.15, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyloctadeca-4,8-dien-2-amine is sourced from PubChem (CID 87493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).