[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol

C13H20N2O — CID 111440219

IUPAC[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cccnc1
InChIInChI=1S/C13H20N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h3-4,7-8,12-13,15-16H,1-2,5-6,9-10H2
InChIKeyPQYNUPZXOCHBNK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds4

About [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol

[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol (PubChem CID 111440219) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
PubChem CID111440219
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cccnc1
InChIInChI=1S/C13H20N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h3-4,7-8,12-13,15-16H,1-2,5-6,9-10H2
InChIKeyPQYNUPZXOCHBNK-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359814
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 129434882
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol
CID 111440232
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol (CID 111440219) is [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol is OCC1CCCCC1NCc1cccnc1.
What is the InChIKey of [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol?
The InChIKey is PQYNUPZXOCHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h3-4,7-8,12-13,15-16H,1-2,5-6,9-10H2.
What are the key properties of [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol?
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 111440219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).