6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol

C13H22N2O — CID 78928839

IUPAC6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)C(C)NCc1nc(C)ccc1O
InChIInChI=1S/C13H22N2O/c1-5-9(2)11(4)14-8-12-13(16)7-6-10(3)15-12/h6-7,9,11,14,16H,5,8H2,1-4H3
InChIKeyJSVGWVZOYSNMTD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds5

About 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol

6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 78928839) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
PubChem CID78928839
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)C(C)NCc1nc(C)ccc1O
InChIInChI=1S/C13H22N2O/c1-5-9(2)11(4)14-8-12-13(16)7-6-10(3)15-12/h6-7,9,11,14,16H,5,8H2,1-4H3
InChIKeyJSVGWVZOYSNMTD-UHFFFAOYSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylpentan-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 78952615
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
CID 103924307
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
CID 104586935
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
6-methyl-2-[[1-(4-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928742
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
2-[(ethoxyamino)methyl]-6-methylpyridin-3-ol
CID 82710489
tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
CID 107251140
6-methyl-2-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]pyridin-3-ol
CID 95275043
2-[(1-cyclohexylethylamino)methyl]-6-methylpyridin-3-ol
CID 79032200
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol (CID 78928839) is 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol is CCC(C)C(C)NCc1nc(C)ccc1O.
What is the InChIKey of 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is JSVGWVZOYSNMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-9(2)11(4)14-8-12-13(16)7-6-10(3)15-12/h6-7,9,11,14,16H,5,8H2,1-4H3.
What are the key properties of 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 222.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 78928839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).