3-(3,3-dimethylbutan-2-yl)pyridine

C11H17N — CID 59751404

IUPAC3-(3,3-dimethylbutan-2-yl)pyridine
SMILESCC(c1cccnc1)C(C)(C)C
InChIInChI=1S/C11H17N/c1-9(11(2,3)4)10-6-5-7-12-8-10/h5-9H,1-4H3
InChIKeyVKCHMESXBQOFGY-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.23
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)pyridine

3-(3,3-dimethylbutan-2-yl)pyridine (PubChem CID 59751404) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)pyridine
PubChem CID59751404
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-(3,3-dimethylbutan-2-yl)pyridine
SMILESCC(c1cccnc1)C(C)(C)C
InChIInChI=1S/C11H17N/c1-9(11(2,3)4)10-6-5-7-12-8-10/h5-9H,1-4H3
InChIKeyVKCHMESXBQOFGY-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
CID 130465955

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)pyridine?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)pyridine (CID 59751404) is 3-(3,3-dimethylbutan-2-yl)pyridine.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)pyridine?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)pyridine is CC(c1cccnc1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)pyridine?
The InChIKey is VKCHMESXBQOFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(11(2,3)4)10-6-5-7-12-8-10/h5-9H,1-4H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)pyridine?
3-(3,3-dimethylbutan-2-yl)pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)pyridine is sourced from PubChem (CID 59751404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).