N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine

C13H24ClN — CID 106121204

IUPACN-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
SMILESClC1CCC(CNCC2CCCCC2)C1
InChIInChI=1S/C13H24ClN/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h11-13,15H,1-10H2
InChIKeyAKJJPMFQUYUKSW-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine

N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine (PubChem CID 106121204) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
PubChem CID106121204
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
SMILESClC1CCC(CNCC2CCCCC2)C1
InChIInChI=1S/C13H24ClN/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h11-13,15H,1-10H2
InChIKeyAKJJPMFQUYUKSW-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792
1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 106120936
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
N-[(3-chlorocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106121284
(cyclononylmethylamino)methanol
CID 137465268
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 106126458
N-[(3-chlorocyclohexyl)methyl]dodecan-1-amine
CID 106122733
1-chloro-3-(2-cyclohexylethyl)cyclohexane
CID 54510077

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine (CID 106121204) is N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine is ClC1CCC(CNCC2CCCCC2)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine?
The InChIKey is AKJJPMFQUYUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h11-13,15H,1-10H2.
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine?
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine has a molecular weight of 229.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 106121204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).