(Z)-N-(1-chloropropyl)pent-2-en-2-amine

C8H16ClN — CID 155005340

IUPAC(Z)-N-(1-chloropropyl)pent-2-en-2-amine
SMILESCC/C=C(/C)NC(Cl)CC
InChIInChI=1S/C8H16ClN/c1-4-6-7(3)10-8(9)5-2/h6,8,10H,4-5H2,1-3H3/b7-6-
InChIKeyFQQJKCDIDDXZAA-SREVYHEPSA-N
MW161.68 g/mol
LogP2.86
Rot. Bonds4

About (Z)-N-(1-chloropropyl)pent-2-en-2-amine

(Z)-N-(1-chloropropyl)pent-2-en-2-amine (PubChem CID 155005340) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (Z)-N-(1-chloropropyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(1-chloropropyl)pent-2-en-2-amine
PubChem CID155005340
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(Z)-N-(1-chloropropyl)pent-2-en-2-amine
SMILESCC/C=C(/C)NC(Cl)CC
InChIInChI=1S/C8H16ClN/c1-4-6-7(3)10-8(9)5-2/h6,8,10H,4-5H2,1-3H3/b7-6-
InChIKeyFQQJKCDIDDXZAA-SREVYHEPSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (Z)-N-(1-chloropropyl)pent-2-en-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 (Z)-N-(1-chloropropyl)pent-2-en-2-amine?
The IUPAC name of (Z)-N-(1-chloropropyl)pent-2-en-2-amine (CID 155005340) is (Z)-N-(1-chloropropyl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-(1-chloropropyl)pent-2-en-2-amine?
The canonical SMILES for (Z)-N-(1-chloropropyl)pent-2-en-2-amine is CC/C=C(/C)NC(Cl)CC.
What is the InChIKey of (Z)-N-(1-chloropropyl)pent-2-en-2-amine?
The InChIKey is FQQJKCDIDDXZAA-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16ClN/c1-4-6-7(3)10-8(9)5-2/h6,8,10H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-N-(1-chloropropyl)pent-2-en-2-amine?
(Z)-N-(1-chloropropyl)pent-2-en-2-amine has a molecular weight of 161.68 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloropropyl)pent-2-en-2-amine is sourced from PubChem (CID 155005340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).