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

C12H20N2O2 — CID 79033166

IUPAC2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(C)CCO)n1
InChIInChI=1S/C12H20N2O2/c1-9(5-6-15)7-13-8-11-12(16)4-3-10(2)14-11/h3-4,9,13,15-16H,5-8H2,1-2H3
InChIKeyZAUPLDBOXWRXIX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds6

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

2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 79033166) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID79033166
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(C)CCO)n1
InChIInChI=1S/C12H20N2O2/c1-9(5-6-15)7-13-8-11-12(16)4-3-10(2)14-11/h3-4,9,13,15-16H,5-8H2,1-2H3
InChIKeyZAUPLDBOXWRXIX-UHFFFAOYSA-N
XLogP1.20
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
CID 103645101
2-[(2-ethylhexylamino)methyl]-6-methylpyridin-3-ol
CID 78928568
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol
CID 111427334
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
CID 78928982
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
CID 104586935

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol (CID 79033166) is 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC(C)CCO)n1.
What is the InChIKey of 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is ZAUPLDBOXWRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(5-6-15)7-13-8-11-12(16)4-3-10(2)14-11/h3-4,9,13,15-16H,5-8H2,1-2H3.
What are the key properties of 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 224.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79033166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).