8-(cyclopropylmethyl)-3-hydrazinyl-8-azabicyclo[3.2.1]octane

• ChemBase ID: 281615
• Molecular Formular: C11H21N3
• Molecular Mass: 195.30454
• Monoisotopic Mass: 195.17354769
• SMILES: N1(C2CC(CC1CC2)NN)CC1CC1
• Canonical SMILES: NNC1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C11H21N3/c12-13-9-5-10-3-4-11(6-9)14(10)7-8-1-2-8/h8-11,13H,1-7,12H2
• InChIKey: UHFWPJJDOXGJEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclopropylmethyl)-3-hydrazinyl-8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 8-(cyclopropylmethyl)-3-hydrazinyl-8-azabicyclo[3.2.1]octane
• Synonyms: 8-(cyclopropylmethyl)-3-hydrazinyl-8-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD13196427
• PubChem SID: 180667146
• PubChem CID: 45792729

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0945094
• LogD (pH = 7.4): -2.6057775
• Log P: 0.5226007
• Molar Refractivity: 69.1702 cm^3
• Polarizability: 23.19076 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.111

Product Information

• Purity: 95%