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

C13H22N2O2 — CID 103645101

IUPAC2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)CC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-9(2)6-11(16)7-14-8-12-13(17)5-4-10(3)15-12/h4-5,9,11,14,16-17H,6-8H2,1-3H3
InChIKeyOYXPSQBCPGUKGE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds6

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

2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 103645101) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID103645101
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(O)CC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-9(2)6-11(16)7-14-8-12-13(17)5-4-10(3)15-12/h4-5,9,11,14,16-17H,6-8H2,1-3H3
InChIKeyOYXPSQBCPGUKGE-UHFFFAOYSA-N
XLogP1.59
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 110935652
2-[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]methyl]-6-methylpyridin-3-ol
CID 111427334
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
2-[(2-ethylhexylamino)methyl]-6-methylpyridin-3-ol
CID 78928568
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-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
2-(2-amino-4-methylpentyl)-6-methylpyridin-3-ol
CID 79162899
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol (CID 103645101) is 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC(O)CC(C)C)n1.
What is the InChIKey of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is OYXPSQBCPGUKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)6-11(16)7-14-8-12-13(17)5-4-10(3)15-12/h4-5,9,11,14,16-17H,6-8H2,1-3H3.
What are the key properties of 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 238.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 103645101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).