tricyclo[3.2.1.02,4]octan-3-amine

• ChemBase ID: 238570
• Molecular Formular: C8H13N
• Molecular Mass: 123.19552
• Monoisotopic Mass: 123.10479942
• SMILES: C12C(C1N)C1CC2CC1
• Canonical SMILES: NC1C2C1C1CC2CC1
• InChI: InChI=1S/C8H13N/c9-8-6-4-1-2-5(3-4)7(6)8/h4-8H,1-3,9H2
• InChIKey: RKSWLMCWQKHBKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[3.2.1.0^2,^4]octan-3-amine
• IUPAC Traditional name: tricyclo[3.2.1.0^2,^4]octan-3-amine
• Synonyms: tricyclo[3.2.1.0^{2,4}]octan-3-amine

Database IDs

• MDL Number: MFCD22375412
• PubChem SID: 164294480
• PubChem CID: 71756193

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3589883
• LogD (pH = 7.4): -1.8412229
• Log P: 0.66120636
• Molar Refractivity: 36.167 cm^3
• Polarizability: 14.813245 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.627

Product Information

• Purity: 95%