spiro[2.5]octan-1-ylmethanamine

• ChemBase ID: 306564
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C12(CC1CN)CCCCC2
• Canonical SMILES: NCC1CC21CCCCC2
• InChI: InChI=1S/C9H17N/c10-7-8-6-9(8)4-2-1-3-5-9/h8H,1-7,10H2
• InChIKey: FTLWLXATYUQMKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[2.5]octan-1-ylmethanamine
• IUPAC Traditional name: spiro[2.5]octan-1-ylmethanamine
• Synonyms: (spiro[2.5]oct-1-ylmethyl)amine

Database IDs

• CAS Number: 938458-82-3
• MDL Number: MFCD09055187

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4117744
• LogD (pH = 7.4): -0.9905704
• Log P: 1.6121647
• Molar Refractivity: 42.8853 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2