(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine

C15H26ClN — CID 89160985

IUPAC(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine
SMILESC=C/C(=C\C=C(/C)Cl)[C@@H](CC)CCCCCN
InChIInChI=1S/C15H26ClN/c1-4-14(9-7-6-8-12-17)15(5-2)11-10-13(3)16/h5,10-11,14H,2,4,6-9,12,17H2,1,3H3/b13-10+,15-11+/t14-/m0/s1
InChIKeyQOYSSLNHHMVBAR-NXKYZWNMSA-N
MW255.83 g/mol
LogP4.79
Rot. Bonds9

About (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine

(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine (PubChem CID 89160985) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine.

Molecular Properties

Compound Name(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine
PubChem CID89160985
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Name(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine
SMILESC=C/C(=C\C=C(/C)Cl)[C@@H](CC)CCCCCN
InChIInChI=1S/C15H26ClN/c1-4-14(9-7-6-8-12-17)15(5-2)11-10-13(3)16/h5,10-11,14H,2,4,6-9,12,17H2,1,3H3/b13-10+,15-11+/t14-/m0/s1
InChIKeyQOYSSLNHHMVBAR-NXKYZWNMSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-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 (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine?
The IUPAC name of (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine (CID 89160985) is (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine.
What is the SMILES notation for (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine?
The canonical SMILES for (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine is C=C/C(=C\C=C(/C)Cl)[C@@H](CC)CCCCCN.
What is the InChIKey of (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine?
The InChIKey is QOYSSLNHHMVBAR-NXKYZWNMSA-N. The full InChI is InChI=1S/C15H26ClN/c1-4-14(9-7-6-8-12-17)15(5-2)11-10-13(3)16/h5,10-11,14H,2,4,6-9,12,17H2,1,3H3/b13-10+,15-11+/t14-/m0/s1.
What are the key properties of (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine?
(6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine has a molecular weight of 255.83 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7E,9E)-10-chloro-7-ethenyl-6-ethylundeca-7,9-dien-1-amine is sourced from PubChem (CID 89160985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).