N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine

C25H35N — CID 59318260

About N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine (PubChem CID 59318260) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine
• PubChem CID: 59318260
• Molecular Formula: C25H35N
• Molecular Weight: 349.56 g/mol
• Exact Mass: 349.28
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine
• SMILES: C=C(C)CC1(/C(C)=N/c2c(C(C)C)cccc2C(C)C)CC2C=CC1C2
• InChI: InChI=1S/C25H35N/c1-16(2)14-25(15-20-11-12-21(25)13-20)19(7)26-24-22(17(3)4)9-8-10-23(24)18(5)6/h8-12,17-18,20-21H,1,13-15H2,2-7H3/b26-19+
• InChIKey: BDDFMTCMLKAJBR-LGUFXXKBSA-N
• XLogP: 7.57
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.56
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine (CID 59318260) is N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine is C=C(C)CC1(/C(C)=N/c2c(C(C)C)cccc2C(C)C)CC2C=CC1C2.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine?

The InChIKey is BDDFMTCMLKAJBR-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H35N/c1-16(2)14-25(15-20-11-12-21(25)13-20)19(7)26-24-22(17(3)4)9-8-10-23(24)18(5)6/h8-12,17-18,20-21H,1,13-15H2,2-7H3/b26-19+.

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine?

N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine has a molecular weight of 349.56 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine is sourced from PubChem (CID 59318260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).