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

C12H24ClN — CID 106122000

IUPAC4-chloro-N-(cyclohexylmethyl)pentan-1-amine
SMILESCC(Cl)CCCNCC1CCCCC1
InChIInChI=1S/C12H24ClN/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3
InChIKeyVWHLBAICWLYDQV-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.56
Rot. Bonds6

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

4-chloro-N-(cyclohexylmethyl)pentan-1-amine (PubChem CID 106122000) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)pentan-1-amine
PubChem CID106122000
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name4-chloro-N-(cyclohexylmethyl)pentan-1-amine
SMILESCC(Cl)CCCNCC1CCCCC1
InChIInChI=1S/C12H24ClN/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3
InChIKeyVWHLBAICWLYDQV-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.56
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'}

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Related Compounds

4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
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
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)pentan-1-amine (CID 106122000) is 4-chloro-N-(cyclohexylmethyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)pentan-1-amine is CC(Cl)CCCNCC1CCCCC1.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)pentan-1-amine?
The InChIKey is VWHLBAICWLYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-chloro-N-(cyclohexylmethyl)pentan-1-amine?
4-chloro-N-(cyclohexylmethyl)pentan-1-amine has a molecular weight of 217.78 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)pentan-1-amine is sourced from PubChem (CID 106122000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).