3-hydrazinyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octane

• ChemBase ID: 281612
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: N1(C2CC(CC1CC2)NN)C(C)C
• Canonical SMILES: NNC1CC2CCC(C1)N2C(C)C
• InChI: InChI=1S/C10H21N3/c1-7(2)13-9-3-4-10(13)6-8(5-9)12-11/h7-10,12H,3-6,11H2,1-2H3
• InChIKey: SBTPVVMJZXHXGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 3-hydrazinyl-8-isopropyl-8-azabicyclo[3.2.1]octane
• Synonyms: 3-hydrazinyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD13196424
• PubChem SID: 180667143
• PubChem CID: 45792726

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0946882
• LogD (pH = 7.4): -2.547757
• Log P: 0.5154064
• Molar Refractivity: 66.3956 cm^3
• Polarizability: 22.080997 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.146

Product Information

• Purity: 95%