N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

• ChemBase ID: 185529
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N1(C2C/C(=N\O)/CC1CC2)C
• Canonical SMILES: O/N=C/1\CC2CCC(C1)N2C
• InChI: InChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3
• InChIKey: QOAKBKOUXFNSEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164241439
• PubChem CID: 2728075

CALCULATED PROPERTIES

• Acid pKa: 11.518511
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.679125
• LogD (pH = 7.4): -1.4002553
• Log P: 0.7079442
• Molar Refractivity: 43.1666 cm^3
• Polarizability: 16.954247 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds