2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile

C17H20N2 — CID 115129759

IUPAC2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
SMILESCN(CCc1ccc2ccccc2c1)C(C)(C)C#N
InChIInChI=1S/C17H20N2/c1-17(2,13-18)19(3)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11H2,1-3H3
InChIKeyJGAPLFCXCCDUJH-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile

2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile (PubChem CID 115129759) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
PubChem CID115129759
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
SMILESCN(CCc1ccc2ccccc2c1)C(C)(C)C#N
InChIInChI=1S/C17H20N2/c1-17(2,13-18)19(3)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11H2,1-3H3
InChIKeyJGAPLFCXCCDUJH-UHFFFAOYSA-N
XLogP3.62
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129670
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129723
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
CID 115224440
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanol
CID 113236296
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine
CID 155594446
3-naphthalen-2-ylpropanenitrile
CID 13308301
CID 57459119
CID 57459119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile (CID 115129759) is 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile is CN(CCc1ccc2ccccc2c1)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile?
The InChIKey is JGAPLFCXCCDUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2,13-18)19(3)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile?
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile has a molecular weight of 252.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile is sourced from PubChem (CID 115129759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).