2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile

C14H20N2 — CID 115129275

IUPAC2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile
SMILESCc1cc(C)c(CNC(C)(C)C#N)c(C)c1
InChIInChI=1S/C14H20N2/c1-10-6-11(2)13(12(3)7-10)8-16-14(4,5)9-15/h6-7,16H,8H2,1-5H3
InChIKeyRRPIZKQQRHLTOU-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile

2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile (PubChem CID 115129275) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile
PubChem CID115129275
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile
SMILESCc1cc(C)c(CNC(C)(C)C#N)c(C)c1
InChIInChI=1S/C14H20N2/c1-10-6-11(2)13(12(3)7-10)8-16-14(4,5)9-15/h6-7,16H,8H2,1-5H3
InChIKeyRRPIZKQQRHLTOU-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
CID 115129556
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607
1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 65025267
2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol
CID 114010508
2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile
CID 115129421
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
CID 82141424
2-chloro-4-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43348060
3-fluoro-4-methyl-5-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43728298
1-(2,4,6-trimethylphenyl)-N-trimethylsilylmethanamine
CID 11964134
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile (CID 115129275) is 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile is Cc1cc(C)c(CNC(C)(C)C#N)c(C)c1.
What is the InChIKey of 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile?
The InChIKey is RRPIZKQQRHLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-6-11(2)13(12(3)7-10)8-16-14(4,5)9-15/h6-7,16H,8H2,1-5H3.
What are the key properties of 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile?
2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile is sourced from PubChem (CID 115129275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).