(3Z,5E)-6-chlorohepta-3,5-dien-1-amine

C7H12ClN — CID 88940379

IUPAC(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
SMILESC/C(Cl)=C\C=C/CCN
InChIInChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+
InChIKeyXYKIOACPXFPSRV-JYUXVSJCSA-N
MW145.63 g/mol
LogP2.03
Rot. Bonds3

About (3Z,5E)-6-chlorohepta-3,5-dien-1-amine

(3Z,5E)-6-chlorohepta-3,5-dien-1-amine (PubChem CID 88940379) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (3Z,5E)-6-chlorohepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
PubChem CID88940379
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
SMILESC/C(Cl)=C\C=C/CCN
InChIInChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+
InChIKeyXYKIOACPXFPSRV-JYUXVSJCSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-6-chlorohepta-3,5-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 (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine (CID 88940379) is (3Z,5E)-6-chlorohepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-6-chlorohepta-3,5-dien-1-amine is C/C(Cl)=C\C=C/CCN.
What is the InChIKey of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
The InChIKey is XYKIOACPXFPSRV-JYUXVSJCSA-N. The full InChI is InChI=1S/C7H12ClN/c1-7(8)5-3-2-4-6-9/h2-3,5H,4,6,9H2,1H3/b3-2-,7-5+.
What are the key properties of (3Z,5E)-6-chlorohepta-3,5-dien-1-amine?
(3Z,5E)-6-chlorohepta-3,5-dien-1-amine has a molecular weight of 145.63 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-chlorohepta-3,5-dien-1-amine is sourced from PubChem (CID 88940379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).