4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile

C15H22N2 — CID 116910142

IUPAC4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
SMILESCc1ccc(C(CCC#N)N(C)C)c(C)c1C
InChIInChI=1S/C15H22N2/c1-11-8-9-14(13(3)12(11)2)15(17(4)5)7-6-10-16/h8-9,15H,6-7H2,1-5H3
InChIKeyXHWHZKMGNMIKSR-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.52
Rot. Bonds4

About 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile

4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile (PubChem CID 116910142) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
PubChem CID116910142
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
SMILESCc1ccc(C(CCC#N)N(C)C)c(C)c1C
InChIInChI=1S/C15H22N2/c1-11-8-9-14(13(3)12(11)2)15(17(4)5)7-6-10-16/h8-9,15H,6-7H2,1-5H3
InChIKeyXHWHZKMGNMIKSR-UHFFFAOYSA-N
XLogP3.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-4-(4-methoxy-2,3,5-trimethylphenyl)butanenitrile
CID 116910085
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
4-(dimethylamino)-4-(2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116910149
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-[dimethylamino-(2,3,4-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116912026
1-hydrazinyl-N,N-dimethyl-1-(2,3,4-trimethylphenyl)methanamine
CID 116914969
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
4-(2,3-dimethylphenyl)-4-hydroxybutanenitrile
CID 130655462
2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
CID 116960620

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile?
The IUPAC name of 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile (CID 116910142) is 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile.
What is the SMILES notation for 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile?
The canonical SMILES for 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile is Cc1ccc(C(CCC#N)N(C)C)c(C)c1C.
What is the InChIKey of 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile?
The InChIKey is XHWHZKMGNMIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-9-14(13(3)12(11)2)15(17(4)5)7-6-10-16/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile?
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile is sourced from PubChem (CID 116910142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).