(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine

C11H20ClN — CID 81430081

IUPAC(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
SMILESClC/C=C/CNCC1CCCCC1
InChIInChI=1S/C11H20ClN/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,11,13H,1-3,6-10H2/b5-4+
InChIKeyMYIPVZWJEUDEEK-SNAWJCMRSA-N
MW201.74 g/mol
LogP2.95
Rot. Bonds5

About (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine

(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine (PubChem CID 81430081) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
PubChem CID81430081
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
SMILESClC/C=C/CNCC1CCCCC1
InChIInChI=1S/C11H20ClN/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,11,13H,1-3,6-10H2/b5-4+
InChIKeyMYIPVZWJEUDEEK-SNAWJCMRSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-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

Related Compounds

N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide
CID 103164392
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
(cyclononylmethylamino)methanol
CID 137465268
1-[(E)-4-chlorobut-2-enyl]-3-cyclohexylurea
CID 81428966
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-[(E)-4-chlorobut-2-enyl]-2-cyclopropylacetamide
CID 81431115
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
N-[(E)-4-chlorobut-2-enyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 81430248
(E)-4-chloro-N-[(1S)-1-cycloheptylethyl]but-2-en-1-amine
CID 81430127
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine?
The IUPAC name of (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine (CID 81430081) is (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine?
The canonical SMILES for (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine is ClC/C=C/CNCC1CCCCC1.
What is the InChIKey of (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine?
The InChIKey is MYIPVZWJEUDEEK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20ClN/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,11,13H,1-3,6-10H2/b5-4+.
What are the key properties of (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine?
(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine has a molecular weight of 201.74 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine is sourced from PubChem (CID 81430081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).