2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile

C12H16N2 — CID 123371699

IUPAC2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
SMILESCCC(C#N)(CC)c1cc(C)ccn1
InChIInChI=1S/C12H16N2/c1-4-12(5-2,9-13)11-8-10(3)6-7-14-11/h6-8H,4-5H2,1-3H3
InChIKeyGLHOINBXVGVCPR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.97
Rot. Bonds3

About 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile

2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile (PubChem CID 123371699) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
PubChem CID123371699
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
SMILESCCC(C#N)(CC)c1cc(C)ccn1
InChIInChI=1S/C12H16N2/c1-4-12(5-2,9-13)11-8-10(3)6-7-14-11/h6-8H,4-5H2,1-3H3
InChIKeyGLHOINBXVGVCPR-UHFFFAOYSA-N
XLogP2.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
CID 23123821
2,2-difluoro-2-(4-methyl-2-pyridinyl)ethanamine
CID 130018780
(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
2-(4-methyl-2-pyridinyl)acetonitrile
CID 12812206
trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
CID 124637255
2-(4-bromo-3-methylphenyl)-2-ethylbutanenitrile
CID 118431422
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
ethyl 2-cyano-2-[4-(trifluoromethyl)-2-pyridinyl]propanoate
CID 104572310
4-[chloro(difluoro)methyl]-2-(2-methylbutan-2-yl)pyridine
CID 134483266
2-(2-amino-5-methylphenyl)-2-methylbutanenitrile
CID 130133778

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile?
The IUPAC name of 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile (CID 123371699) is 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile is CCC(C#N)(CC)c1cc(C)ccn1.
What is the InChIKey of 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile?
The InChIKey is GLHOINBXVGVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12(5-2,9-13)11-8-10(3)6-7-14-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile?
2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile is sourced from PubChem (CID 123371699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).