(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine

C8H14ClN — CID 143610007

IUPAC(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine
SMILESCC/C=C\C(NC)=C(/C)Cl
InChIInChI=1S/C8H14ClN/c1-4-5-6-8(10-3)7(2)9/h5-6,10H,4H2,1-3H3/b6-5-,8-7-
InChIKeyAOVVNJAZBVXSNO-ISTTXYCBSA-N
MW159.66 g/mol
LogP2.64
Rot. Bonds3

About (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine

(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine (PubChem CID 143610007) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine
PubChem CID143610007
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine
SMILESCC/C=C\C(NC)=C(/C)Cl
InChIInChI=1S/C8H14ClN/c1-4-5-6-8(10-3)7(2)9/h5-6,10H,4H2,1-3H3/b6-5-,8-7-
InChIKeyAOVVNJAZBVXSNO-ISTTXYCBSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-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 (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine (CID 143610007) is (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine is CC/C=C\C(NC)=C(/C)Cl.
What is the InChIKey of (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine?
The InChIKey is AOVVNJAZBVXSNO-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-5-6-8(10-3)7(2)9/h5-6,10H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine?
(2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine has a molecular weight of 159.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-chloro-N-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 143610007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).