N-[1-(chloromethyl)cyclopentyl]cyclohexanamine

C12H22ClN — CID 18316166

IUPACN-[1-(chloromethyl)cyclopentyl]cyclohexanamine
SMILESClCC1(NC2CCCCC2)CCCC1
InChIInChI=1S/C12H22ClN/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11,14H,1-10H2
InChIKeyZYMKHUKOJYTHOA-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]cyclohexanamine

N-[1-(chloromethyl)cyclopentyl]cyclohexanamine (PubChem CID 18316166) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]cyclohexanamine
PubChem CID18316166
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-[1-(chloromethyl)cyclopentyl]cyclohexanamine
SMILESClCC1(NC2CCCCC2)CCCC1
InChIInChI=1S/C12H22ClN/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11,14H,1-10H2
InChIKeyZYMKHUKOJYTHOA-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(chloromethyl)cyclopentyl]cyclohexanamine 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

1-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 80693706
1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80695805
1-(chloromethyl)-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81113933
1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine
CID 81114412
1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115518409
1-(Cyclopentylamino)-1-(chioromethyl)cyclopentane
CID 18316154
1-(Cyclobutylamino)-1-(chloromethyl)cyclopentane
CID 18316529
1-(chloromethyl)-1-(cyclohexylamino)cyclopentane HCl salt
CID 69992905
1-(chloromethyl)-1-(cyclopentylamino)cyclopentane HCl salt
CID 69995819
N-(1-chloro-2-methylpropan-2-yl)cyclohexanamine
CID 82937340
N-[chloro(cyclohexyl)methyl]propan-2-amine
CID 150832993
4-Chloro-6-azaspiro[4.5]decane
CID 164898696

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]cyclohexanamine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]cyclohexanamine (CID 18316166) is N-[1-(chloromethyl)cyclopentyl]cyclohexanamine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]cyclohexanamine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]cyclohexanamine is ClCC1(NC2CCCCC2)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]cyclohexanamine?
The InChIKey is ZYMKHUKOJYTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11,14H,1-10H2.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]cyclohexanamine?
N-[1-(chloromethyl)cyclopentyl]cyclohexanamine has a molecular weight of 215.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]cyclohexanamine is sourced from PubChem (CID 18316166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).