3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile

C16H24N2 — CID 115254418

IUPAC3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
SMILESCc1ccc(N(C)CC(C#N)C(C)C)c(C)c1C
InChIInChI=1S/C16H24N2/c1-11(2)15(9-17)10-18(6)16-8-7-12(3)13(4)14(16)5/h7-8,11,15H,10H2,1-6H3
InChIKeyQCCWNMHPHINWGR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.84
Rot. Bonds4

About 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile

3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile (PubChem CID 115254418) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
PubChem CID115254418
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
SMILESCc1ccc(N(C)CC(C#N)C(C)C)c(C)c1C
InChIInChI=1S/C16H24N2/c1-11(2)15(9-17)10-18(6)16-8-7-12(3)13(4)14(16)5/h7-8,11,15H,10H2,1-6H3
InChIKeyQCCWNMHPHINWGR-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanoic acid
CID 115250292
3-methyl-2-[[methyl-(5-methylfuran-2-yl)amino]methyl]butanenitrile
CID 115254413
2-(N,2,3,4-tetramethylanilino)acetaldehyde
CID 115222854
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
CID 115254409
3-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]butanenitrile
CID 115254538
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
3-[4-(chloromethyl)-N,2-dimethylanilino]-2-methylpropanenitrile
CID 62123508
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
2-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile (CID 115254418) is 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile is Cc1ccc(N(C)CC(C#N)C(C)C)c(C)c1C.
What is the InChIKey of 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile?
The InChIKey is QCCWNMHPHINWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)15(9-17)10-18(6)16-8-7-12(3)13(4)14(16)5/h7-8,11,15H,10H2,1-6H3.
What are the key properties of 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile?
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile is sourced from PubChem (CID 115254418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).