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

• ChemBase ID: 281609
• Molecular Formular: C11H21N3
• Molecular Mass: 195.30454
• Monoisotopic Mass: 195.17354769
• SMILES: N1(C2CC(CC1CCC2)NN)C1CC1
• Canonical SMILES: NNC1CC2CCCC(C1)N2C1CC1
• InChI: InChI=1S/C11H21N3/c12-13-8-6-10-2-1-3-11(7-8)14(10)9-4-5-9/h8-11,13H,1-7,12H2
• InChIKey: VVIVTUHOGRGUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196421
• PubChem SID: 180667140
• PubChem CID: 45792723

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8257926
• LogD (pH = 7.4): -0.9591399
• Log P: 0.65215665
• Molar Refractivity: 69.0404 cm^3
• Polarizability: 23.19076 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%