2-cyclohexyl-2,2-diphenylacetonitrile

C20H21N — CID 18331517

IUPAC2-cyclohexyl-2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H21N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeyDFCPGSVFJAZMDA-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.08
Rot. Bonds3

About 2-cyclohexyl-2,2-diphenylacetonitrile

2-cyclohexyl-2,2-diphenylacetonitrile (PubChem CID 18331517) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2,2-diphenylacetonitrile
PubChem CID18331517
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-cyclohexyl-2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H21N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeyDFCPGSVFJAZMDA-UHFFFAOYSA-N
XLogP5.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,2-diphenylacetonitrile?
The IUPAC name of 2-cyclohexyl-2,2-diphenylacetonitrile (CID 18331517) is 2-cyclohexyl-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-cyclohexyl-2,2-diphenylacetonitrile?
The canonical SMILES for 2-cyclohexyl-2,2-diphenylacetonitrile is N#CC(c1ccccc1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-diphenylacetonitrile?
The InChIKey is DFCPGSVFJAZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19H,3,8-9,14-15H2.
What are the key properties of 2-cyclohexyl-2,2-diphenylacetonitrile?
2-cyclohexyl-2,2-diphenylacetonitrile has a molecular weight of 275.40 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-diphenylacetonitrile is sourced from PubChem (CID 18331517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).