3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine

C13H24ClN — CID 106437789

IUPAC3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCC(C)CC1
InChIInChI=1S/C13H24ClN/c1-11-3-5-13(6-4-11)7-8-15-10-12(2)9-14/h9,11,13,15H,3-8,10H2,1-2H3
InChIKeyAOKOQJGFVQTHOE-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.93
Rot. Bonds5

About 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine

3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine (PubChem CID 106437789) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
PubChem CID106437789
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCC(C)CC1
InChIInChI=1S/C13H24ClN/c1-11-3-5-13(6-4-11)7-8-15-10-12(2)9-14/h9,11,13,15H,3-8,10H2,1-2H3
InChIKeyAOKOQJGFVQTHOE-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-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

3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899968
(2S)-1-[2-(4-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932151
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
1-methyl-4-[3-methyl-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54111448
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
CID 106437480
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
[2-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]cyclopentyl]methanol
CID 106437857
3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
CID 106438250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine (CID 106437789) is 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine is CC(=CCl)CNCCC1CCC(C)CC1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine?
The InChIKey is AOKOQJGFVQTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c1-11-3-5-13(6-4-11)7-8-15-10-12(2)9-14/h9,11,13,15H,3-8,10H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 106437789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).