3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine

C13H19ClN2 — CID 63541675

IUPAC3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCCCC1CNc1ncccc1Cl
InChIInChI=1S/C13H19ClN2/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyBGGGCZZNXNHLRX-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.97
Rot. Bonds3

About 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine

3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 63541675) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
PubChem CID63541675
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCCCC1CNc1ncccc1Cl
InChIInChI=1S/C13H19ClN2/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyBGGGCZZNXNHLRX-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
3-methyl-N-[[(1R,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
CID 129450953
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
N-[(2-methylcyclohexyl)methyl]pyridazin-3-amine
CID 62482636
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033
N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine
CID 113371327
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
N-(azetidin-3-ylmethyl)-3-chloropyridin-2-amine
CID 127017021
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine (CID 63541675) is 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine is CC1CCCCC1CNc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is BGGGCZZNXNHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-2-3-6-11(10)9-16-13-12(14)7-4-8-15-13/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine?
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63541675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).