[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol

C13H22N2O — CID 80632052

IUPAC[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)C(C)C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-10(3)6-12(8-16)7-14-13/h6-7,9,11,16H,8H2,1-5H3
InChIKeyJHLMRWNBMCCJIR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds4

About [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol

[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 80632052) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID80632052
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)C(C)C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-10(3)6-12(8-16)7-14-13/h6-7,9,11,16H,8H2,1-5H3
InChIKeyJHLMRWNBMCCJIR-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 61257693
[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol
CID 80628806
1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80629194
[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 80628517
2-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80632786
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 80631311
[6-(3-fluoro-N-methylanilino)-5-methyl-3-pyridinyl]methanol
CID 80628282
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
CID 80651280
[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 81238025

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (CID 80632052) is [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N(C)C(C)C(C)C.
What is the InChIKey of [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is JHLMRWNBMCCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-10(3)6-12(8-16)7-14-13/h6-7,9,11,16H,8H2,1-5H3.
What are the key properties of [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
[5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 80632052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).