1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine; nitric acid

• ChemBase ID: 193392
• Molecular Formular: C10H18N2O3
• Molecular Mass: 214.26152
• Monoisotopic Mass: 214.13174245
• SMILES: C12(C(C(CC1=N)CC2)(C)C)C.[N+](=O)([O-])O
• Canonical SMILES: N=C1CC2C(C1(C)CC2)(C)C.[O-][N+](=O)O
• InChI: InChI=1S/C10H17N.HNO3/c1-9(2)7-4-5-10(9,3)8(11)6-7;2-1(3)4/h7,11H,4-6H2,1-3H3;(H,2,3,4)
• InChIKey: AOBJQCNEPFALTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine; nitric acid
• IUPAC Traditional name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine; acid, nitric

Database IDs

• PubChem SID: 164249302
• PubChem CID: 44891510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7372522
• LogD (pH = 7.4): 0.53568006
• Log P: 2.5656471
• Molar Refractivity: 56.964 cm^3
• Polarizability: 18.431728 Å^3
• Polar Surface Area: 23.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HNO3
• Classification: Derivatives & analogs of Natural Compounds