3,3-dimethyl-1-pyridin-2-ylbutan-2-ol

C11H17NO — CID 62393585

IUPAC3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccccn1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h4-7,10,13H,8H2,1-3H3
InChIKeyHXLGCJQUQMHYRU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds2

About 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol

3,3-dimethyl-1-pyridin-2-ylbutan-2-ol (PubChem CID 62393585) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
PubChem CID62393585
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccccn1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h4-7,10,13H,8H2,1-3H3
InChIKeyHXLGCJQUQMHYRU-UHFFFAOYSA-N
XLogP2.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
CID 167904939
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
CID 115810990
1,2-dipyridin-2-ylethanol
CID 11458306
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
(3R)-2,2-difluoro-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 145217845
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol (CID 62393585) is 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol is CC(C)(C)C(O)Cc1ccccn1.
What is the InChIKey of 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol?
The InChIKey is HXLGCJQUQMHYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)10(13)8-9-6-4-5-7-12-9/h4-7,10,13H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol?
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 62393585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).