N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine

C11H20ClN — CID 60688907

IUPACN-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCC(C)C1C
InChIInChI=1S/C11H20ClN/c1-8-5-4-6-11(10(8)3)13-7-9(2)12/h8,10-11,13H,2,4-7H2,1,3H3
InChIKeyYHBZLWUVAAWCGU-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.15
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine

N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 60688907) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID60688907
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC NameN-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCC(C)C1C
InChIInChI=1S/C11H20ClN/c1-8-5-4-6-11(10(8)3)13-7-9(2)12/h8,10-11,13H,2,4-7H2,1,3H3
InChIKeyYHBZLWUVAAWCGU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine (CID 60688907) is N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine is C=C(Cl)CNC1CCCC(C)C1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is YHBZLWUVAAWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-8-5-4-6-11(10(8)3)13-7-9(2)12/h8,10-11,13H,2,4-7H2,1,3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine?
N-(2-chloroprop-2-enyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.15, 3 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)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 60688907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).