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

C13H22N2O — CID 80628517

IUPAC[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCCC(C)(C)N(C)c1ncc(CO)cc1C
InChIInChI=1S/C13H22N2O/c1-6-13(3,4)15(5)12-10(2)7-11(9-16)8-14-12/h7-8,16H,6,9H2,1-5H3
InChIKeyIBFBOQOXMPCGCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.51
Rot. Bonds4

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

[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 80628517) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID80628517
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCCC(C)(C)N(C)c1ncc(CO)cc1C
InChIInChI=1S/C13H22N2O/c1-6-13(3,4)15(5)12-10(2)7-11(9-16)8-14-12/h7-8,16H,6,9H2,1-5H3
InChIKeyIBFBOQOXMPCGCJ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol (CID 80628517) is [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol is CCC(C)(C)N(C)c1ncc(CO)cc1C.
What is the InChIKey of [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is IBFBOQOXMPCGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-13(3,4)15(5)12-10(2)7-11(9-16)8-14-12/h7-8,16H,6,9H2,1-5H3.
What are the key properties of [5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
[5-methyl-6-[methyl(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.51, 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(2-methylbutan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 80628517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).