9-benzyl-3-hydrazinyl-9-azabicyclo[3.3.1]nonane

• ChemBase ID: 281606
• Molecular Formular: C15H23N3
• Molecular Mass: 245.36322
• Monoisotopic Mass: 245.18919775
• SMILES: N1(C2CC(CC1CCC2)NN)Cc1ccccc1
• Canonical SMILES: NNC1CC2CCCC(C1)N2Cc1ccccc1
• InChI: InChI=1S/C15H23N3/c16-17-13-9-14-7-4-8-15(10-13)18(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11,16H2
• InChIKey: ZTJVQJPRTRATKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-benzyl-3-hydrazinyl-9-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-benzyl-3-hydrazinyl-9-azabicyclo[3.3.1]nonane
• Synonyms: 9-benzyl-3-hydrazinyl-9-azabicyclo[3.3.1]nonane

Database IDs

• MDL Number: MFCD13196418
• PubChem SID: 180667137
• PubChem CID: 45792720

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0899755
• LogD (pH = 7.4): 0.96743244
• Log P: 1.9110652
• Molar Refractivity: 86.4418 cm^3
• Polarizability: 29.861153 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.655

Product Information

• Purity: 95%