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

• ChemBase ID: 281608
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2CC(CC1CCC2)NN)CCC
• Canonical SMILES: CCCN1C2CCCC1CC(C2)NN
• InChI: InChI=1S/C11H23N3/c1-2-6-14-10-4-3-5-11(14)8-9(7-10)13-12/h9-11,13H,2-8,12H2,1H3
• InChIKey: NRYLOZAJTXWGGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196420
• PubChem SID: 180667139
• PubChem CID: 45792722

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.552637
• LogD (pH = 7.4): -0.8797597
• Log P: 1.0659225
• Molar Refractivity: 71.1018 cm^3
• Polarizability: 23.92632 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.925

Product Information

• Purity: 95%