2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

C12H17ClN2 — CID 130751518

IUPAC2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CNC2CCCC2Cl)n1
InChIInChI=1S/C12H17ClN2/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(12)13/h2,4-5,11-12,14H,3,6-8H2,1H3
InChIKeyKVJHTLJUPKEOML-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 130751518) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID130751518
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CNC2CCCC2Cl)n1
InChIInChI=1S/C12H17ClN2/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(12)13/h2,4-5,11-12,14H,3,6-8H2,1H3
InChIKeyKVJHTLJUPKEOML-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.64
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

cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81326890
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 79267879
4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 63887494
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555
N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
CID 112582298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (CID 130751518) is 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is Cc1cccc(CNC2CCCC2Cl)n1.
What is the InChIKey of 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is KVJHTLJUPKEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(12)13/h2,4-5,11-12,14H,3,6-8H2,1H3.
What are the key properties of 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 224.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 130751518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).