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

C15H20N2 — CID 64776776

IUPAC3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(Nc2cccc(C#N)c2)C(C)C1
InChIInChI=1S/C15H20N2/c1-11-6-7-15(12(2)8-11)17-14-5-3-4-13(9-14)10-16/h3-5,9,11-12,15,17H,6-8H2,1-2H3
InChIKeyWFZVBEHHVPCSAG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds2

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

3-[(2,4-dimethylcyclohexyl)amino]benzonitrile (PubChem CID 64776776) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
PubChem CID64776776
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(Nc2cccc(C#N)c2)C(C)C1
InChIInChI=1S/C15H20N2/c1-11-6-7-15(12(2)8-11)17-14-5-3-4-13(9-14)10-16/h3-5,9,11-12,15,17H,6-8H2,1-2H3
InChIKeyWFZVBEHHVPCSAG-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-[(2,4-dimethylcyclohexyl)amino]-3-fluorobenzonitrile
CID 63996520
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 113444213
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
CID 64761440
N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
3-(cyclododecylamino)benzonitrile
CID 63422717
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile (CID 64776776) is 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile is CC1CCC(Nc2cccc(C#N)c2)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile?
The InChIKey is WFZVBEHHVPCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-7-15(12(2)8-11)17-14-5-3-4-13(9-14)10-16/h3-5,9,11-12,15,17H,6-8H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile?
3-[(2,4-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 3-[(2,4-dimethylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 64776776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).