4-[(2-hydroxycyclohexyl)amino]benzonitrile

C13H16N2O — CID 60884623

IUPAC4-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C13H16N2O/c14-9-10-5-7-11(8-6-10)15-12-3-1-2-4-13(12)16/h5-8,12-13,15-16H,1-4H2
InChIKeyWHYMHTWJKAYILC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.27
Rot. Bonds2

About 4-[(2-hydroxycyclohexyl)amino]benzonitrile

4-[(2-hydroxycyclohexyl)amino]benzonitrile (PubChem CID 60884623) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)amino]benzonitrile
PubChem CID60884623
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-[(2-hydroxycyclohexyl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C13H16N2O/c14-9-10-5-7-11(8-6-10)15-12-3-1-2-4-13(12)16/h5-8,12-13,15-16H,1-4H2
InChIKeyWHYMHTWJKAYILC-UHFFFAOYSA-N
XLogP2.27
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-hydroxycyclohexyl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60883762
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 64911456
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The IUPAC name of 4-[(2-hydroxycyclohexyl)amino]benzonitrile (CID 60884623) is 4-[(2-hydroxycyclohexyl)amino]benzonitrile.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)amino]benzonitrile is N#Cc1ccc(NC2CCCCC2O)cc1.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)amino]benzonitrile?
The InChIKey is WHYMHTWJKAYILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-10-5-7-11(8-6-10)15-12-3-1-2-4-13(12)16/h5-8,12-13,15-16H,1-4H2.
What are the key properties of 4-[(2-hydroxycyclohexyl)amino]benzonitrile?
4-[(2-hydroxycyclohexyl)amino]benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)amino]benzonitrile is sourced from PubChem (CID 60884623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).