4-(dimethylamino)-4-phenylbutanenitrile

C12H16N2 — CID 116910022

IUPAC4-(dimethylamino)-4-phenylbutanenitrile
SMILESCN(C)C(CCC#N)c1ccccc1
InChIInChI=1S/C12H16N2/c1-14(2)12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9H2,1-2H3
InChIKeyVWWVKMVOVAHGPC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.59
Rot. Bonds4

About 4-(dimethylamino)-4-phenylbutanenitrile

4-(dimethylamino)-4-phenylbutanenitrile (PubChem CID 116910022) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenylbutanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenylbutanenitrile
PubChem CID116910022
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-(dimethylamino)-4-phenylbutanenitrile
SMILESCN(C)C(CCC#N)c1ccccc1
InChIInChI=1S/C12H16N2/c1-14(2)12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9H2,1-2H3
InChIKeyVWWVKMVOVAHGPC-UHFFFAOYSA-N
XLogP2.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-5,5-diphenylpentanenitrile
CID 70588560
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
4-iodo-4-phenylbutanenitrile
CID 57240454
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine
CID 170602766
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
3-[4-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methyl]-N-methylanilino]propanenitrile
CID 9300138
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenylbutanenitrile?
The IUPAC name of 4-(dimethylamino)-4-phenylbutanenitrile (CID 116910022) is 4-(dimethylamino)-4-phenylbutanenitrile.
What is the SMILES notation for 4-(dimethylamino)-4-phenylbutanenitrile?
The canonical SMILES for 4-(dimethylamino)-4-phenylbutanenitrile is CN(C)C(CCC#N)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-4-phenylbutanenitrile?
The InChIKey is VWWVKMVOVAHGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14(2)12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-phenylbutanenitrile?
4-(dimethylamino)-4-phenylbutanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-phenylbutanenitrile is sourced from PubChem (CID 116910022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).