[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol

C13H22N2O — CID 81238025

IUPAC[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(N(C)C(C)C(C)C)c(CO)cn1
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-6-10(3)14-7-12(13)8-16/h6-7,9,11,16H,8H2,1-5H3
InChIKeyGBXUAWJBCNMSNF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds4

About [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol

[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 81238025) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID81238025
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(N(C)C(C)C(C)C)c(CO)cn1
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-6-10(3)14-7-12(13)8-16/h6-7,9,11,16H,8H2,1-5H3
InChIKeyGBXUAWJBCNMSNF-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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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (CID 81238025) is [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is Cc1cc(N(C)C(C)C(C)C)c(CO)cn1.
What is the InChIKey of [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is GBXUAWJBCNMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11(4)15(5)13-6-10(3)14-7-12(13)8-16/h6-7,9,11,16H,8H2,1-5H3.
What are the key properties of [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
[6-methyl-4-[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 [6-methyl-4-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 81238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).