2-[(2-methylcyclohexyl)amino]benzonitrile

C14H18N2 — CID 43178607

IUPAC2-[(2-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCCCC1Nc1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3
InChIKeyBISUIJOXAKPXBW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.55
Rot. Bonds2

About 2-[(2-methylcyclohexyl)amino]benzonitrile

2-[(2-methylcyclohexyl)amino]benzonitrile (PubChem CID 43178607) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]benzonitrile
PubChem CID43178607
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[(2-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCCCC1Nc1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3
InChIKeyBISUIJOXAKPXBW-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324
2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 43762433
2-(cyclopentylamino)benzonitrile
CID 10535560
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43331072
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
2-chloro-3-methyl-4-[[(1R,2S)-2-methylcyclopentyl]amino]benzonitrile
CID 126752672
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-chloro-3-methyl-4-[[(1R)-2-methylcyclopentyl]amino]benzonitrile
CID 126752630
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]benzonitrile (CID 43178607) is 2-[(2-methylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]benzonitrile is CC1CCCCC1Nc1ccccc1C#N.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]benzonitrile?
The InChIKey is BISUIJOXAKPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)amino]benzonitrile?
2-[(2-methylcyclohexyl)amino]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 43178607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).