3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile

C23H26N2 — CID 56665993

IUPAC3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
SMILESCN1C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H26N2/c1-25-21-12-13-22(25)15-18(14-21)16-23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22H,12-16H2,1H3
InChIKeyIECFFSCULPEXHT-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.76
Rot. Bonds4

About 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile (PubChem CID 56665993) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile.

Molecular Properties

Compound Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
PubChem CID56665993
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
SMILESCN1C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H26N2/c1-25-21-12-13-22(25)15-18(14-21)16-23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22H,12-16H2,1H3
InChIKeyIECFFSCULPEXHT-UHFFFAOYSA-N
XLogP4.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile?
The IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile (CID 56665993) is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile.
What is the SMILES notation for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile?
The canonical SMILES for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile is CN1C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile?
The InChIKey is IECFFSCULPEXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-25-21-12-13-22(25)15-18(14-21)16-23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22H,12-16H2,1H3.
What are the key properties of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile?
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile has a molecular weight of 330.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile is sourced from PubChem (CID 56665993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).