2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile

C22H32N4 — CID 158964825

About 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile

2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile (PubChem CID 158964825) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile.

Molecular Properties

• Compound Name: 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
• PubChem CID: 158964825
• Molecular Formula: C22H32N4
• Molecular Weight: 352.53 g/mol
• Exact Mass: 352.26
• IUPAC Name: 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
• SMILES: CC1(CC#N)C2CCC1(C)C(/N=N/C1CC3CCC1(C)C3(C)CC#N)C2
• InChI: InChI=1S/C22H32N4/c1-19(9-11-23)15-5-7-21(19,3)17(13-15)25-26-18-14-16-6-8-22(18,4)20(16,2)10-12-24/h15-18H,5-10,13-14H2,1-4H3/b26-25+
• InChIKey: RSYUMXGXXMPUNP-OCEACIFDSA-N
• XLogP: 5.66
• TPSA: 72.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.53
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?

The IUPAC name of 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile (CID 158964825) is 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile.

What is the SMILES notation for 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?

The canonical SMILES for 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile is CC1(CC#N)C2CCC1(C)C(/N=N/C1CC3CCC1(C)C3(C)CC#N)C2.

What is the InChIKey of 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?

The InChIKey is RSYUMXGXXMPUNP-OCEACIFDSA-N. The full InChI is InChI=1S/C22H32N4/c1-19(9-11-23)15-5-7-21(19,3)17(13-15)25-26-18-14-16-6-8-22(18,4)20(16,2)10-12-24/h15-18H,5-10,13-14H2,1-4H3/b26-25+.

What are the key properties of 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?

2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile has a molecular weight of 352.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile is sourced from PubChem (CID 158964825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).