9-(cyclopropylmethyl)-3-hydrazinyl-9-azabicyclo[3.3.1]nonane

• ChemBase ID: 281610
• Molecular Formular: C12H23N3
• Molecular Mass: 209.33112
• Monoisotopic Mass: 209.18919775
• SMILES: N1(C2CC(CC1CCC2)NN)CC1CC1
• Canonical SMILES: NNC1CC2CCCC(C1)N2CC1CC1
• InChI: InChI=1S/C12H23N3/c13-14-10-6-11-2-1-3-12(7-10)15(11)8-9-4-5-9/h9-12,14H,1-8,13H2
• InChIKey: MNZPCILTQRSMMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-3-hydrazinyl-9-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-(cyclopropylmethyl)-3-hydrazinyl-9-azabicyclo[3.3.1]nonane
• Synonyms: 9-(cyclopropylmethyl)-3-hydrazinyl-9-azabicyclo[3.3.1]nonane

Database IDs

• MDL Number: MFCD13196422
• PubChem SID: 180667141
• PubChem CID: 45792724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5981622
• LogD (pH = 7.4): -0.823049
• Log P: 0.9671694
• Molar Refractivity: 73.7712 cm^3
• Polarizability: 25.035622 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.67

Product Information

• Purity: 95%