1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine

C13H19ClN2 — CID 102878907

IUPAC1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1cncc(CNCC2CCCC2Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(7-15-6-10)8-16-9-12-3-2-4-13(12)14/h5-7,12-13,16H,2-4,8-9H2,1H3
InChIKeyFKCHRINOZTZWKG-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine

1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 102878907) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
PubChem CID102878907
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1cncc(CNCC2CCCC2Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(7-15-6-10)8-16-9-12-3-2-4-13(12)14/h5-7,12-13,16H,2-4,8-9H2,1H3
InChIKeyFKCHRINOZTZWKG-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
CID 104811205
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 102879005
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
2,2-dicyclopropyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880910
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
CID 102878479
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 79241209

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine (CID 102878907) is 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine is Cc1cncc(CNCC2CCCC2Cl)c1.
What is the InChIKey of 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is FKCHRINOZTZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-11(7-15-6-10)8-16-9-12-3-2-4-13(12)14/h5-7,12-13,16H,2-4,8-9H2,1H3.
What are the key properties of 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine?
1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 102878907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).