2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile

C16H24N2 — CID 115253935

IUPAC2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)Cc1cc(C)c(C)cc1C
InChIInChI=1S/C16H24N2/c1-6-15(9-17)10-18(5)11-16-8-13(3)12(2)7-14(16)4/h7-8,15H,6,10-11H2,1-5H3
InChIKeyXUIRZAOALWGHMT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.59
Rot. Bonds5

About 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile

2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile (PubChem CID 115253935) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile
PubChem CID115253935
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)Cc1cc(C)c(C)cc1C
InChIInChI=1S/C16H24N2/c1-6-15(9-17)10-18(5)11-16-8-13(3)12(2)7-14(16)4/h7-8,15H,6,10-11H2,1-5H3
InChIKeyXUIRZAOALWGHMT-UHFFFAOYSA-N
XLogP3.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
2-[[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methyl]butanenitrile
CID 115254132
2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]butanenitrile
CID 115253986
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]butanenitrile
CID 115231827
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986
2-[[(4-fluorophenyl)methyl-methylamino]methyl]butanenitrile
CID 115253889
2-[(2-methoxy-N,4,5-trimethylanilino)methyl]butanenitrile
CID 115253639
2-[[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methyl]butanenitrile
CID 115253947
2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
CID 115254101
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254151
2-[[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]methyl]butanenitrile
CID 115254023
4-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481157

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile?
The IUPAC name of 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile (CID 115253935) is 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile?
The canonical SMILES for 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile is CCC(C#N)CN(C)Cc1cc(C)c(C)cc1C.
What is the InChIKey of 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile?
The InChIKey is XUIRZAOALWGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-15(9-17)10-18(5)11-16-8-13(3)12(2)7-14(16)4/h7-8,15H,6,10-11H2,1-5H3.
What are the key properties of 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile?
2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2,4,5-trimethylphenyl)methyl]amino]methyl]butanenitrile is sourced from PubChem (CID 115253935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).