2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol

C12H20N2O2 — CID 111449214

IUPAC2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
SMILESCCC(CCO)NCc1nc(C)ccc1O
InChIInChI=1S/C12H20N2O2/c1-3-10(6-7-15)13-8-11-12(16)5-4-9(2)14-11/h4-5,10,13,15-16H,3,6-8H2,1-2H3
InChIKeyDDOBBIIEZYQSKQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.35
Rot. Bonds6

About 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol

2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol (PubChem CID 111449214) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
PubChem CID111449214
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
SMILESCCC(CCO)NCc1nc(C)ccc1O
InChIInChI=1S/C12H20N2O2/c1-3-10(6-7-15)13-8-11-12(16)5-4-9(2)14-11/h4-5,10,13,15-16H,3,6-8H2,1-2H3
InChIKeyDDOBBIIEZYQSKQ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pirbuterol
CID 4845
Pirbuterol Acetate
CID 171674
6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
3-Hydroxy-2-hydroxymethyl-6-methylpyridine
CID 135128
Pirbuterol monohydrochloride
CID 3061720
2-((Dimethylamino)methyl)pyridin-3-ol
CID 75108
Pirbuterol Hydrochloride
CID 68658
Pirbuterol, (R)-
CID 3246659
6-Methyl-2-ethyl-3-hydroxypyridine hydrochloride
CID 128852
2-((Diethylamino)methyl)-3-pyridinol
CID 252255
2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol
CID 258769

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol (CID 111449214) is 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol is CCC(CCO)NCc1nc(C)ccc1O.
What is the InChIKey of 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol?
The InChIKey is DDOBBIIEZYQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(6-7-15)13-8-11-12(16)5-4-9(2)14-11/h4-5,10,13,15-16H,3,6-8H2,1-2H3.
What are the key properties of 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol?
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol has a molecular weight of 224.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 111449214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).