4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile

C24H26N2 — CID 163271987

IUPAC4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC[C@H]2CCC[C@H](CCc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C24H26N2/c25-17-23-12-6-19(7-13-23)4-10-21-2-1-3-22(16-21)11-5-20-8-14-24(18-26)15-9-20/h6-9,12-15,21-22H,1-5,10-11,16H2/t21-,22-/m1/s1
InChIKeyFAYNVYGUQONNJC-FGZHOGPDSA-N
MW342.49 g/mol
LogP5.80
Rot. Bonds6

About 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile

4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile (PubChem CID 163271987) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
PubChem CID163271987
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC[C@H]2CCC[C@H](CCc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C24H26N2/c25-17-23-12-6-19(7-13-23)4-10-21-2-1-3-22(16-21)11-5-20-8-14-24(18-26)15-9-20/h6-9,12-15,21-22H,1-5,10-11,16H2/t21-,22-/m1/s1
InChIKeyFAYNVYGUQONNJC-FGZHOGPDSA-N
XLogP5.80
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile with MolForge

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Related Compounds

4-[2-(4-oxocyclohexyl)ethyl]benzonitrile
CID 19739318
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
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4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
4-[2-(4-but-2-enylcyclohexyl)ethyl]benzonitrile
CID 57157511
4-[2-[4-(5-fluoropent-3-enyl)cyclohexyl]ethyl]benzonitrile
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4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
4-[2-[4-[(E)-6-fluorohex-5-enyl]cyclohexyl]ethyl]benzonitrile
CID 19798829
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
4-[[[3-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
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2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile?
The IUPAC name of 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile (CID 163271987) is 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile is N#Cc1ccc(CC[C@H]2CCC[C@H](CCc3ccc(C#N)cc3)C2)cc1.
What is the InChIKey of 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile?
The InChIKey is FAYNVYGUQONNJC-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H26N2/c25-17-23-12-6-19(7-13-23)4-10-21-2-1-3-22(16-21)11-5-20-8-14-24(18-26)15-9-20/h6-9,12-15,21-22H,1-5,10-11,16H2/t21-,22-/m1/s1.
What are the key properties of 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile?
4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile has a molecular weight of 342.49 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile is sourced from PubChem (CID 163271987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).