2-benzyl-2-methylbutanenitrile

C12H15N — CID 65377862

IUPAC2-benzyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-12(2,10-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyLASVSWSCDUCNEB-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.17
Rot. Bonds3

About 2-benzyl-2-methylbutanenitrile

2-benzyl-2-methylbutanenitrile (PubChem CID 65377862) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-benzyl-2-methylbutanenitrile.

Molecular Properties

Compound Name2-benzyl-2-methylbutanenitrile
PubChem CID65377862
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-benzyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-12(2,10-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyLASVSWSCDUCNEB-UHFFFAOYSA-N
XLogP3.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[(4-methylphenyl)methyl]butanenitrile
CID 65376608
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanenitrile
CID 103041867
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682
2-benzyl-2-(ethylamino)butanenitrile
CID 79008092
azane;2,2-dimethylbutylbenzene
CID 175285583
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylbutanenitrile
CID 107898493
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
methyl 2-cyano-2-methyl-3-phenylpropanoate
CID 11790291
2,2-difluoro-3-phenylpropanenitrile
CID 83855334

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methylbutanenitrile?
The IUPAC name of 2-benzyl-2-methylbutanenitrile (CID 65377862) is 2-benzyl-2-methylbutanenitrile.
What is the SMILES notation for 2-benzyl-2-methylbutanenitrile?
The canonical SMILES for 2-benzyl-2-methylbutanenitrile is CCC(C)(C#N)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-methylbutanenitrile?
The InChIKey is LASVSWSCDUCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-12(2,10-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-benzyl-2-methylbutanenitrile?
2-benzyl-2-methylbutanenitrile has a molecular weight of 173.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methylbutanenitrile is sourced from PubChem (CID 65377862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).