4-[(2,3-dimethylcyclohexyl)amino]benzonitrile

C15H20N2 — CID 43079582

IUPAC4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
SMILESCC1CCCC(Nc2ccc(C#N)cc2)C1C
InChIInChI=1S/C15H20N2/c1-11-4-3-5-15(12(11)2)17-14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3
InChIKeyQEHGJPMOEIHGPA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds2

About 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile

4-[(2,3-dimethylcyclohexyl)amino]benzonitrile (PubChem CID 43079582) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
PubChem CID43079582
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
SMILESCC1CCCC(Nc2ccc(C#N)cc2)C1C
InChIInChI=1S/C15H20N2/c1-11-4-3-5-15(12(11)2)17-14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3
InChIKeyQEHGJPMOEIHGPA-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
2-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
CID 64762398
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
CID 64761262
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
CID 104586722
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile (CID 43079582) is 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile is CC1CCCC(Nc2ccc(C#N)cc2)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile?
The InChIKey is QEHGJPMOEIHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-4-3-5-15(12(11)2)17-14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile?
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 43079582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).