bicyclo[2.2.2]octan-2-amine

• ChemBase ID: 240471
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1(C2CCC(C1)CC2)N
• Canonical SMILES: NC1CC2CCC1CC2
• InChI: InChI=1S/C8H15N/c9-8-5-6-1-3-7(8)4-2-6/h6-8H,1-5,9H2
• InChIKey: MCLJDHWIDXKUBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.2]octan-2-amine
• IUPAC Traditional name: bicyclo[2.2.2]octan-2-amine
• Synonyms: bicyclo[2.2.2]octan-2-amine

Database IDs

• MDL Number: MFCD19204037
• PubChem SID: 164296381
• PubChem CID: 13239288

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6662151
• LogD (pH = 7.4): -1.3953605
• Log P: 1.3620777
• Molar Refractivity: 38.151 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.201

Product Information

• Purity: 95%