2-(N,2,4-trimethylanilino)propanenitrile

C12H16N2 — CID 115129965

IUPAC2-(N,2,4-trimethylanilino)propanenitrile
SMILESCc1ccc(N(C)C(C)C#N)c(C)c1
InChIInChI=1S/C12H16N2/c1-9-5-6-12(10(2)7-9)14(4)11(3)8-13/h5-7,11H,1-4H3
InChIKeyLIJOOBLAPNRSIP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.65
Rot. Bonds2

About 2-(N,2,4-trimethylanilino)propanenitrile

2-(N,2,4-trimethylanilino)propanenitrile (PubChem CID 115129965) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(N,2,4-trimethylanilino)propanenitrile.

Molecular Properties

Compound Name2-(N,2,4-trimethylanilino)propanenitrile
PubChem CID115129965
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(N,2,4-trimethylanilino)propanenitrile
SMILESCc1ccc(N(C)C(C)C#N)c(C)c1
InChIInChI=1S/C12H16N2/c1-9-5-6-12(10(2)7-9)14(4)11(3)8-13/h5-7,11H,1-4H3
InChIKeyLIJOOBLAPNRSIP-UHFFFAOYSA-N
XLogP2.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-N-(2,4-dimethylphenyl)-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62435825
2-[1-(N,2,4-trimethylanilino)ethyl]benzene-1,3-diol
CID 107711813
2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
CID 115130049
4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
CID 63511662
2-bromo-4-(N,2,4-trimethylanilino)benzonitrile
CID 107276246
5-bromo-2-(N,2,4-trimethylanilino)benzonitrile
CID 114890621
3-(2-amino-N,4-dimethylanilino)butanenitrile
CID 63225776
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
3-chloro-4-(N,2,4-trimethylanilino)benzonitrile
CID 63511821
2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
CID 115129963
propan-2-yl 2-(N,2,4-trimethylanilino)acetate
CID 60967713

Frequently Asked Questions

What is the IUPAC name of 2-(N,2,4-trimethylanilino)propanenitrile?
The IUPAC name of 2-(N,2,4-trimethylanilino)propanenitrile (CID 115129965) is 2-(N,2,4-trimethylanilino)propanenitrile.
What is the SMILES notation for 2-(N,2,4-trimethylanilino)propanenitrile?
The canonical SMILES for 2-(N,2,4-trimethylanilino)propanenitrile is Cc1ccc(N(C)C(C)C#N)c(C)c1.
What is the InChIKey of 2-(N,2,4-trimethylanilino)propanenitrile?
The InChIKey is LIJOOBLAPNRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-5-6-12(10(2)7-9)14(4)11(3)8-13/h5-7,11H,1-4H3.
What are the key properties of 2-(N,2,4-trimethylanilino)propanenitrile?
2-(N,2,4-trimethylanilino)propanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2,4-trimethylanilino)propanenitrile is sourced from PubChem (CID 115129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).