4-chloro-N-(cyclopentylmethyl)pentan-1-amine

C11H22ClN — CID 106122016

IUPAC4-chloro-N-(cyclopentylmethyl)pentan-1-amine
SMILESCC(Cl)CCCNCC1CCCC1
InChIInChI=1S/C11H22ClN/c1-10(12)5-4-8-13-9-11-6-2-3-7-11/h10-11,13H,2-9H2,1H3
InChIKeyGYUJJQXYXQGOJG-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N-(cyclopentylmethyl)pentan-1-amine

4-chloro-N-(cyclopentylmethyl)pentan-1-amine (PubChem CID 106122016) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)pentan-1-amine
PubChem CID106122016
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-chloro-N-(cyclopentylmethyl)pentan-1-amine
SMILESCC(Cl)CCCNCC1CCCC1
InChIInChI=1S/C11H22ClN/c1-10(12)5-4-8-13-9-11-6-2-3-7-11/h10-11,13H,2-9H2,1H3
InChIKeyGYUJJQXYXQGOJG-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(cyclopentylmethyl)pentan-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

Related Compounds

4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
3-chloro-N-(cyclopropylmethyl)butan-1-amine
CID 65025281
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)pentan-1-amine (CID 106122016) is 4-chloro-N-(cyclopentylmethyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)pentan-1-amine is CC(Cl)CCCNCC1CCCC1.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)pentan-1-amine?
The InChIKey is GYUJJQXYXQGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-10(12)5-4-8-13-9-11-6-2-3-7-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-chloro-N-(cyclopentylmethyl)pentan-1-amine?
4-chloro-N-(cyclopentylmethyl)pentan-1-amine has a molecular weight of 203.76 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)pentan-1-amine is sourced from PubChem (CID 106122016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).