1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine

C13H24ClN — CID 13381217

IUPAC1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2(Cl)CCCC2)CCCCC1
InChIInChI=1S/C13H24ClN/c14-12(6-4-5-7-12)10-11-13(15)8-2-1-3-9-13/h1-11,15H2
InChIKeyQFLFDGHBTRIFLG-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.98
Rot. Bonds3

About 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine

1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine (PubChem CID 13381217) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine
PubChem CID13381217
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2(Cl)CCCC2)CCCCC1
InChIInChI=1S/C13H24ClN/c14-12(6-4-5-7-12)10-11-13(15)8-2-1-3-9-13/h1-11,15H2
InChIKeyQFLFDGHBTRIFLG-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.98
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 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine (CID 13381217) is 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine is NC1(CCC2(Cl)CCCC2)CCCCC1.
What is the InChIKey of 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine?
The InChIKey is QFLFDGHBTRIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-12(6-4-5-7-12)10-11-13(15)8-2-1-3-9-13/h1-11,15H2.
What are the key properties of 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine?
1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chlorocyclopentyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 13381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).