4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile

C25H26N2 — CID 68736357

IUPAC4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile
SMILESCCN(c1ccc2ccccc2c1)C1CCCC(c2ccc(C#N)cc2)C1
InChIInChI=1S/C25H26N2/c1-2-27(25-15-14-20-6-3-4-7-22(20)17-25)24-9-5-8-23(16-24)21-12-10-19(18-26)11-13-21/h3-4,6-7,10-15,17,23-24H,2,5,8-9,16H2,1H3
InChIKeyDQFDJGKCFBWSTB-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.26
Rot. Bonds4

About 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile

4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile (PubChem CID 68736357) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile
PubChem CID68736357
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile
SMILESCCN(c1ccc2ccccc2c1)C1CCCC(c2ccc(C#N)cc2)C1
InChIInChI=1S/C25H26N2/c1-2-27(25-15-14-20-6-3-4-7-22(20)17-25)24-9-5-8-23(16-24)21-12-10-19(18-26)11-13-21/h3-4,6-7,10-15,17,23-24H,2,5,8-9,16H2,1H3
InChIKeyDQFDJGKCFBWSTB-UHFFFAOYSA-N
XLogP6.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile?
The IUPAC name of 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile (CID 68736357) is 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile?
The canonical SMILES for 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile is CCN(c1ccc2ccccc2c1)C1CCCC(c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile?
The InChIKey is DQFDJGKCFBWSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-2-27(25-15-14-20-6-3-4-7-22(20)17-25)24-9-5-8-23(16-24)21-12-10-19(18-26)11-13-21/h3-4,6-7,10-15,17,23-24H,2,5,8-9,16H2,1H3.
What are the key properties of 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile?
4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile has a molecular weight of 354.50 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile is sourced from PubChem (CID 68736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).