N-{3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-ylidene}hydroxylamine

• ChemBase ID: 280336
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: N1(C2CC2)CC2/C(=N\O)/C(C1)CCC2
• Canonical SMILES: O/N=C/1\C2CCCC1CN(C2)C1CC1
• InChI: InChI=1S/C11H18N2O/c14-12-11-8-2-1-3-9(11)7-13(6-8)10-4-5-10/h8-10,14H,1-7H2
• InChIKey: ZQHLPNGIWJFCAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-ylidene}hydroxylamine
• IUPAC Traditional name: N-{3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-ylidene}hydroxylamine
• Synonyms: 3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one oxime

Database IDs

• MDL Number: MFCD08144065
• PubChem SID: 180665867
• PubChem CID: 3221311

CALCULATED PROPERTIES

• Acid pKa: 11.601395
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5552813
• LogD (pH = 7.4): -0.039362174
• Log P: 1.7149924
• Molar Refractivity: 55.4442 cm^3
• Polarizability: 21.74853 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%