2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile

C16H24N2 — CID 115130496

IUPAC2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile
SMILESCC(C)Cc1ccc(CCN(C)C(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-13(2)11-16-7-5-15(6-8-16)9-10-18(4)14(3)12-17/h5-8,13-14H,9-11H2,1-4H3
InChIKeyLGAFFTQFGXFAEH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.27
Rot. Bonds6

About 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile

2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile (PubChem CID 115130496) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile
PubChem CID115130496
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile
SMILESCC(C)Cc1ccc(CCN(C)C(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-13(2)11-16-7-5-15(6-8-16)9-10-18(4)14(3)12-17/h5-8,13-14H,9-11H2,1-4H3
InChIKeyLGAFFTQFGXFAEH-UHFFFAOYSA-N
XLogP3.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]methanethiol
CID 115228378
2-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]propanenitrile
CID 115130526
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
2-[[N-methyl-4-(2-methylpropyl)anilino]methyl]butanenitrile
CID 115253625
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile?
The IUPAC name of 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile (CID 115130496) is 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile.
What is the SMILES notation for 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile?
The canonical SMILES for 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile is CC(C)Cc1ccc(CCN(C)C(C)C#N)cc1.
What is the InChIKey of 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile?
The InChIKey is LGAFFTQFGXFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)11-16-7-5-15(6-8-16)9-10-18(4)14(3)12-17/h5-8,13-14H,9-11H2,1-4H3.
What are the key properties of 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile?
2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile is sourced from PubChem (CID 115130496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).