2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine

C12H18ClN3 — CID 86257637

IUPAC2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
SMILESNCC1CCCC1NCc1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3/c13-12-5-4-9(8-16-12)7-15-11-3-1-2-10(11)6-14/h4-5,8,10-11,15H,1-3,6-7,14H2
InChIKeyGUHNBXGHKHHQCL-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.95
Rot. Bonds4

About 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine

2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 86257637) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID86257637
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
SMILESNCC1CCCC1NCc1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3/c13-12-5-4-9(8-16-12)7-15-11-3-1-2-10(11)6-14/h4-5,8,10-11,15H,1-3,6-7,14H2
InChIKeyGUHNBXGHKHHQCL-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 167828703
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170404
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
4-[(6-chloro-3-pyridinyl)methylamino]-3-methylpiperidine-1-carboxylic acid
CID 90782417

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine (CID 86257637) is 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine is NCC1CCCC1NCc1ccc(Cl)nc1.
What is the InChIKey of 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is GUHNBXGHKHHQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c13-12-5-4-9(8-16-12)7-15-11-3-1-2-10(11)6-14/h4-5,8,10-11,15H,1-3,6-7,14H2.
What are the key properties of 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine?
2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 86257637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).