(1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine

• ChemBase ID: 310371
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: C12([C@@H]3C=C[C@@H]2CC3CN)CC1
• Canonical SMILES: NCC1C[C@@H]2C3([C@@H]1C=C2)CC3
• InChI: InChI=1S/C10H15N/c11-6-7-5-8-1-2-9(7)10(8)3-4-10/h1-2,7-9H,3-6,11H2/t7?,8-,9-/m1/s1
• InChIKey: UOFXCPIGEWFBTF-CFCGPWAMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine
• IUPAC Traditional name: (1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine
• Synonyms: rac-1-[(1R,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-en-2-yl]methanamine

Database IDs

• MDL Number: MFCD24850076

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1079183
• LogD (pH = 7.4): -1.6857247
• Log P: 0.91598666
• Molar Refractivity: 46.6959 cm^3
• Polarizability: 18.270176 Å^3
• Polar Surface Area: 26.02 Å^2