2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile

C15H22N2 — CID 115129556

IUPAC2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
SMILESCc1cc(C)c(CCNC(C)(C)C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-15(4,5)10-16/h8-9,17H,6-7H2,1-5H3
InChIKeyRXUDYTGYVXSVKV-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile

2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile (PubChem CID 115129556) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
PubChem CID115129556
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
SMILESCc1cc(C)c(CCNC(C)(C)C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-15(4,5)10-16/h8-9,17H,6-7H2,1-5H3
InChIKeyRXUDYTGYVXSVKV-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61810
3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-(2,3-Dimethylphenyl)piperidine
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2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642
2,5-Dimethylamphetamine
CID 115412
3-((4-Phenylbutan-2-yl)amino)propanenitrile hydrochloride
CID 16681830
Amfepentorex
CID 71877
N-Methyl-1-(4-propylphenyl)propan-2-amine
CID 204291
Phenethylamine, alpha,alpha-dimethyl-N-propyl-
CID 200033
4-[2-(Methylamino)ethyl]benzonitrile
CID 64865760
alpha,2,4,6-Tetramethyl phenethylamine, hydrochloride
CID 91248
Phenethylamine, N-butyl-alpha,alpha-dimethyl-
CID 200034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile (CID 115129556) is 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile is Cc1cc(C)c(CCNC(C)(C)C#N)c(C)c1.
What is the InChIKey of 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile?
The InChIKey is RXUDYTGYVXSVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-15(4,5)10-16/h8-9,17H,6-7H2,1-5H3.
What are the key properties of 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile?
2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile is sourced from PubChem (CID 115129556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).