2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile

C28H30N2 — CID 70302737

IUPAC2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile
SMILESCN(Cc1ccccc1)C1CCCC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H30N2/c1-30(21-23-12-5-2-6-13-23)27-19-11-18-26(20-27)28(22-29,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27H,11,18-21H2,1H3
InChIKeyVJRSJBVVRMVTOV-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.19
Rot. Bonds6

About 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile

2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile (PubChem CID 70302737) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile
PubChem CID70302737
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile
SMILESCN(Cc1ccccc1)C1CCCC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H30N2/c1-30(21-23-12-5-2-6-13-23)27-19-11-18-26(20-27)28(22-29,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27H,11,18-21H2,1H3
InChIKeyVJRSJBVVRMVTOV-UHFFFAOYSA-N
XLogP6.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile?
The IUPAC name of 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile (CID 70302737) is 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile is CN(Cc1ccccc1)C1CCCC(C(C#N)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile?
The InChIKey is VJRSJBVVRMVTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-30(21-23-12-5-2-6-13-23)27-19-11-18-26(20-27)28(22-29,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27H,11,18-21H2,1H3.
What are the key properties of 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile?
2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile has a molecular weight of 394.56 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile is sourced from PubChem (CID 70302737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).