N'-{8-azabicyclo[3.2.1]octan-3-yl}(tert-butoxy)carbohydrazide

• ChemBase ID: 281581
• Molecular Formular: C12H23N3O2
• Molecular Mass: 241.32992
• Monoisotopic Mass: 241.17902699
• SMILES: C(=O)(NNC1CC2NC(C1)CC2)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NNC1CC2CCC(C1)N2
• InChI: InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-14-10-6-8-4-5-9(7-10)13-8/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)
• InChIKey: BZUDBVRKNRRGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-{8-azabicyclo[3.2.1]octan-3-yl}(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-{8-azabicyclo[3.2.1]octan-3-yl}tert-butoxycarbohydrazide
• Synonyms: N'-8-azabicyclo[3.2.1]octan-3-yl(tert-butoxy)carbohydrazide

Database IDs

• MDL Number: MFCD13196391
• PubChem SID: 180667112
• PubChem CID: 45792695

CALCULATED PROPERTIES

• Acid pKa: 12.913644
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.5001009
• LogD (pH = 7.4): -2.317686
• Log P: 0.7392526
• Molar Refractivity: 75.7445 cm^3
• Polarizability: 26.237291 Å^3
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.055

Product Information

• Purity: 95%