3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile

C16H24N2 — CID 115254234

IUPAC3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile
SMILESCc1cc(C)c(C)c(NCC(C#N)C(C)C)c1C
InChIInChI=1S/C16H24N2/c1-10(2)15(8-17)9-18-16-13(5)11(3)7-12(4)14(16)6/h7,10,15,18H,9H2,1-6H3
InChIKeyDSAONKNJMBCOBW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds4

About 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile

3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile (PubChem CID 115254234) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile
PubChem CID115254234
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile
SMILESCc1cc(C)c(C)c(NCC(C#N)C(C)C)c1C
InChIInChI=1S/C16H24N2/c1-10(2)15(8-17)9-18-16-13(5)11(3)7-12(4)14(16)6/h7,10,15,18H,9H2,1-6H3
InChIKeyDSAONKNJMBCOBW-UHFFFAOYSA-N
XLogP4.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(2,4,5-trimethylanilino)methyl]butanenitrile
CID 115254260
2-[(4-tert-butyl-2-methylanilino)methyl]-3-methylbutanenitrile
CID 115254278
2-[(4-methoxy-3,5-dimethylanilino)methyl]-3-methylbutanenitrile
CID 115254301
3-methyl-2-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanenitrile
CID 115254302
2-[(2-chloro-5-fluoro-4-methylanilino)methyl]-3-methylbutanenitrile
CID 115254319
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
3-methyl-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115219701
3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
CID 115254214
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
2-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254611
3-methyl-2-[(4-propylanilino)methyl]butanenitrile
CID 115254222
3-amino-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115241453

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile (CID 115254234) is 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile is Cc1cc(C)c(C)c(NCC(C#N)C(C)C)c1C.
What is the InChIKey of 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile?
The InChIKey is DSAONKNJMBCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)15(8-17)9-18-16-13(5)11(3)7-12(4)14(16)6/h7,10,15,18H,9H2,1-6H3.
What are the key properties of 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile?
3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile has a molecular weight of 244.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile is sourced from PubChem (CID 115254234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).