4-(2-chlorocyclohexyl)pentan-1-amine

C11H22ClN — CID 22024751

IUPAC4-(2-chlorocyclohexyl)pentan-1-amine
SMILESCC(CCCN)C1CCCCC1Cl
InChIInChI=1S/C11H22ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h9-11H,2-8,13H2,1H3
InChIKeyJMDKNEIBVIGAEM-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.16
Rot. Bonds4

About 4-(2-chlorocyclohexyl)pentan-1-amine

4-(2-chlorocyclohexyl)pentan-1-amine (PubChem CID 22024751) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-(2-chlorocyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2-chlorocyclohexyl)pentan-1-amine
PubChem CID22024751
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-(2-chlorocyclohexyl)pentan-1-amine
SMILESCC(CCCN)C1CCCCC1Cl
InChIInChI=1S/C11H22ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h9-11H,2-8,13H2,1H3
InChIKeyJMDKNEIBVIGAEM-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.16
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 4-(2-chlorocyclohexyl)pentan-1-amine?
The IUPAC name of 4-(2-chlorocyclohexyl)pentan-1-amine (CID 22024751) is 4-(2-chlorocyclohexyl)pentan-1-amine.
What is the SMILES notation for 4-(2-chlorocyclohexyl)pentan-1-amine?
The canonical SMILES for 4-(2-chlorocyclohexyl)pentan-1-amine is CC(CCCN)C1CCCCC1Cl.
What is the InChIKey of 4-(2-chlorocyclohexyl)pentan-1-amine?
The InChIKey is JMDKNEIBVIGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h9-11H,2-8,13H2,1H3.
What are the key properties of 4-(2-chlorocyclohexyl)pentan-1-amine?
4-(2-chlorocyclohexyl)pentan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclohexyl)pentan-1-amine is sourced from PubChem (CID 22024751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).