spiro[2.5]octan-6-ylmethanamine

• ChemBase ID: 289856
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: NCC1CCC2(CC1)CC2
• Canonical SMILES: NCC1CCC2(CC1)CC2
• InChI: InChI=1S/C9H17N/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7,10H2
• InChIKey: JEDATJQHUZRDBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[2.5]octan-6-ylmethanamine
• IUPAC Traditional name: spiro[2.5]octan-6-ylmethanamine
• Synonyms: Spiro[2.5]octan-6-ylmethanamine

Database IDs

• CAS Number: 877201-35-9
• PubChem SID: 180675387
• PubChem CID: 50998995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4121244
• LogD (pH = 7.4): -1.0012038
• Log P: 1.6121647
• Molar Refractivity: 42.8853 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%