2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile

C15H22N2 — CID 116955783

IUPAC2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
SMILESCNC(c1ccc(C)c(C)c1C)C(C)(C)C#N
InChIInChI=1S/C15H22N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,1-6H3
InChIKeyTTZLOIRVEYRRJG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.42
Rot. Bonds3

About 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile

2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile (PubChem CID 116955783) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
PubChem CID116955783
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
SMILESCNC(c1ccc(C)c(C)c1C)C(C)(C)C#N
InChIInChI=1S/C15H22N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,1-6H3
InChIKeyTTZLOIRVEYRRJG-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylaminomethyl)benzonitrile
CID 457595
7-Cyano-1,2,3,4-tetrahydroisoquinoline
CID 10176243
1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile
CID 10241065
Benzonitrile, 3-((propylamino)methyl)-
CID 457597
Benzonitrile, 3-((butylamino)methyl)-
CID 457598
[(4-Tert-butylphenyl)methyl](methyl)amine
CID 2396874
4-(Methylaminomethyl)benzonitrile
CID 10606883
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-carbonitrile
CID 11819842
3-((Ethylamino)methyl)benzonitrile
CID 457596
Benzonitrile, 3-[(pentylamino)methyl]-
CID 457599
3-((Isopropylamino)methyl)benzonitrile
CID 485406
2-(4-Tert-butylphenyl)pyrrolidine
CID 4279820

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile (CID 116955783) is 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile is CNC(c1ccc(C)c(C)c1C)C(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile?
The InChIKey is TTZLOIRVEYRRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,1-6H3.
What are the key properties of 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile?
2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile is sourced from PubChem (CID 116955783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).