2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol

C13H20N2O2 — CID 78928626

IUPAC2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCC(O)CC2)n1
InChIInChI=1S/C13H20N2O2/c1-9-2-7-13(17)12(15-9)8-14-10-3-5-11(16)6-4-10/h2,7,10-11,14,16-17H,3-6,8H2,1H3
InChIKeyAYISHZWPAWZONE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds3

About 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol

2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928626) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID78928626
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCC(O)CC2)n1
InChIInChI=1S/C13H20N2O2/c1-9-2-7-13(17)12(15-9)8-14-10-3-5-11(16)6-4-10/h2,7,10-11,14,16-17H,3-6,8H2,1H3
InChIKeyAYISHZWPAWZONE-UHFFFAOYSA-N
XLogP1.49
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
6-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-3-ol
CID 79025943
6-methyl-2-[[(3-methylcyclobutyl)amino]methyl]pyridin-3-ol
CID 115671574
6-methyl-2-[(thiolan-3-ylamino)methyl]pyridin-3-ol
CID 103701607
2-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-6-methylpyridin-3-ol
CID 78928416
2-[[(4-hydroxyoxolan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 115919696
2-[(2-adamantylamino)methyl]-6-methylpyridin-3-ol
CID 78928439
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79158106
2-[(1-cyclohexylethylamino)methyl]-6-methylpyridin-3-ol
CID 79032200
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943361

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol (CID 78928626) is 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNC2CCC(O)CC2)n1.
What is the InChIKey of 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is AYISHZWPAWZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-2-7-13(17)12(15-9)8-14-10-3-5-11(16)6-4-10/h2,7,10-11,14,16-17H,3-6,8H2,1H3.
What are the key properties of 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).