2-[2-cyclohexylethyl(methyl)amino]benzonitrile

C16H22N2 — CID 114191196

IUPAC2-[2-cyclohexylethyl(methyl)amino]benzonitrile
SMILESCN(CCC1CCCCC1)c1ccccc1C#N
InChIInChI=1S/C16H22N2/c1-18(12-11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-17/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyYSEKCLZZMTYWPY-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.96
Rot. Bonds4

About 2-[2-cyclohexylethyl(methyl)amino]benzonitrile

2-[2-cyclohexylethyl(methyl)amino]benzonitrile (PubChem CID 114191196) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[2-cyclohexylethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[2-cyclohexylethyl(methyl)amino]benzonitrile
PubChem CID114191196
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[2-cyclohexylethyl(methyl)amino]benzonitrile
SMILESCN(CCC1CCCCC1)c1ccccc1C#N
InChIInChI=1S/C16H22N2/c1-18(12-11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-17/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyYSEKCLZZMTYWPY-UHFFFAOYSA-N
XLogP3.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
CID 115127341
2-[9-bromononyl(methyl)amino]benzonitrile
CID 105343840
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzonitrile
CID 63512288
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]benzonitrile
CID 116521819
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
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2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexylethyl(methyl)amino]benzonitrile?
The IUPAC name of 2-[2-cyclohexylethyl(methyl)amino]benzonitrile (CID 114191196) is 2-[2-cyclohexylethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-[2-cyclohexylethyl(methyl)amino]benzonitrile?
The canonical SMILES for 2-[2-cyclohexylethyl(methyl)amino]benzonitrile is CN(CCC1CCCCC1)c1ccccc1C#N.
What is the InChIKey of 2-[2-cyclohexylethyl(methyl)amino]benzonitrile?
The InChIKey is YSEKCLZZMTYWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18(12-11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-17/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-[2-cyclohexylethyl(methyl)amino]benzonitrile?
2-[2-cyclohexylethyl(methyl)amino]benzonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexylethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 114191196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).