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

C12H20N2O3 — CID 113384066

IUPAC6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol
SMILESCOCCC(C)(O)CNCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O3/c1-12(16,5-6-17-2)9-13-7-10-3-4-11(15)8-14-10/h3-4,8,13,15-16H,5-7,9H2,1-2H3
InChIKeyCZKNYKJAXTXPGQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.66
Rot. Bonds7

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

6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol (PubChem CID 113384066) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol
PubChem CID113384066
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol
SMILESCOCCC(C)(O)CNCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O3/c1-12(16,5-6-17-2)9-13-7-10-3-4-11(15)8-14-10/h3-4,8,13,15-16H,5-7,9H2,1-2H3
InChIKeyCZKNYKJAXTXPGQ-UHFFFAOYSA-N
XLogP0.66
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
CID 114164015
6-[[(2-hydroxy-3-methoxypropyl)amino]methyl]pyridin-3-ol
CID 79794461
2-methyl-1-[(5-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 80710064
4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
CID 103748411
2,6-dibromo-4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenol
CID 106250300
1-(1,3-benzothiazol-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255133
2-[4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenoxy]acetonitrile
CID 106249817
1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 103270503
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113237042
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
1-[(2-bromo-5-chlorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113244921
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol (CID 113384066) is 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol is COCCC(C)(O)CNCc1ccc(O)cn1.
What is the InChIKey of 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol?
The InChIKey is CZKNYKJAXTXPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(16,5-6-17-2)9-13-7-10-3-4-11(15)8-14-10/h3-4,8,13,15-16H,5-7,9H2,1-2H3.
What are the key properties of 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol?
6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol has a molecular weight of 240.30 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 113384066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).