N-[(8Z)-3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ylidene]hydroxylamine

• ChemBase ID: 258872
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: N1(CC2/C(=N/O)/C(C1)CC2)C(C)(C)C
• Canonical SMILES: O/N=C/1\C2CCC1CN(C2)C(C)(C)C
• InChI: InChI=1S/C11H20N2O/c1-11(2,3)13-6-8-4-5-9(7-13)10(8)12-14/h8-9,14H,4-7H2,1-3H3
• InChIKey: HHZMWBABTWDQKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8Z)-3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(8Z)-3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ylidene]hydroxylamine
• Synonyms: 3-tert-butyl-3-azabicyclo[3.2.1]octane-8-hydroxylamine

Database IDs

• MDL Number: MFCD13806385
• PubChem SID: 164314782
• PubChem CID: 43810813

CALCULATED PROPERTIES

• Acid pKa: 11.571927
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.424477
• LogD (pH = 7.4): 0.07326845
• Log P: 1.8588189
• Molar Refractivity: 57.4376 cm^3
• Polarizability: 22.477156 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%