N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine

C11H20ClN — CID 64741238

IUPACN-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCC(CC)C1
InChIInChI=1S/C11H20ClN/c1-3-10-5-4-6-11(7-10)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyQDFFWVBPLQDRPI-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.30
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine

N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine (PubChem CID 64741238) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
PubChem CID64741238
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC NameN-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCC(CC)C1
InChIInChI=1S/C11H20ClN/c1-3-10-5-4-6-11(7-10)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyQDFFWVBPLQDRPI-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-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-(2-chloroprop-2-enyl)-3-ethylcyclopentan-1-amine
CID 115702589
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
2-[[(3-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253788
N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine (CID 64741238) is N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine is C=C(Cl)CNC1CCCC(CC)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine?
The InChIKey is QDFFWVBPLQDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-3-10-5-4-6-11(7-10)13-8-9(2)12/h10-11,13H,2-8H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine?
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64741238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).