2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine

C12H22ClN — CID 65025611

IUPAC2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCC1CCCC1
InChIInChI=1S/C12H22ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10-12,14H,1-9H2
InChIKeyMRIJQEKMZULLHA-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine

2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine (PubChem CID 65025611) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
PubChem CID65025611
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCC1CCCC1
InChIInChI=1S/C12H22ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10-12,14H,1-9H2
InChIKeyMRIJQEKMZULLHA-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine (CID 65025611) is 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine is ClC1CCCCC1NCC1CCCC1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine?
The InChIKey is MRIJQEKMZULLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10-12,14H,1-9H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine?
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65025611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).