(10E)-N-butylheptadeca-1,10-dien-2-amine

C21H41N — CID 88562107

IUPAC(10E)-N-butylheptadeca-1,10-dien-2-amine
SMILESC=C(CCCCCCC/C=C/CCCCCC)NCCCC
InChIInChI=1S/C21H41N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21(3)22-20-7-5-2/h11-12,22H,3-10,13-20H2,1-2H3/b12-11+
InChIKeyFNJBRZVWCGDNHS-VAWYXSNFSA-N
MW307.57 g/mol
LogP7.15
Rot. Bonds17

About (10E)-N-butylheptadeca-1,10-dien-2-amine

(10E)-N-butylheptadeca-1,10-dien-2-amine (PubChem CID 88562107) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is (10E)-N-butylheptadeca-1,10-dien-2-amine.

Molecular Properties

Compound Name(10E)-N-butylheptadeca-1,10-dien-2-amine
PubChem CID88562107
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name(10E)-N-butylheptadeca-1,10-dien-2-amine
SMILESC=C(CCCCCCC/C=C/CCCCCC)NCCCC
InChIInChI=1S/C21H41N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21(3)22-20-7-5-2/h11-12,22H,3-10,13-20H2,1-2H3/b12-11+
InChIKeyFNJBRZVWCGDNHS-VAWYXSNFSA-N
XLogP7.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.15
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 (10E)-N-butylheptadeca-1,10-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

Frequently Asked Questions

What is the IUPAC name of (10E)-N-butylheptadeca-1,10-dien-2-amine?
The IUPAC name of (10E)-N-butylheptadeca-1,10-dien-2-amine (CID 88562107) is (10E)-N-butylheptadeca-1,10-dien-2-amine.
What is the SMILES notation for (10E)-N-butylheptadeca-1,10-dien-2-amine?
The canonical SMILES for (10E)-N-butylheptadeca-1,10-dien-2-amine is C=C(CCCCCCC/C=C/CCCCCC)NCCCC.
What is the InChIKey of (10E)-N-butylheptadeca-1,10-dien-2-amine?
The InChIKey is FNJBRZVWCGDNHS-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H41N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21(3)22-20-7-5-2/h11-12,22H,3-10,13-20H2,1-2H3/b12-11+.
What are the key properties of (10E)-N-butylheptadeca-1,10-dien-2-amine?
(10E)-N-butylheptadeca-1,10-dien-2-amine has a molecular weight of 307.57 g/mol, XLogP of 7.15, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-N-butylheptadeca-1,10-dien-2-amine is sourced from PubChem (CID 88562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).