1-oxaspiro[4.5]decan-3-amine

• ChemBase ID: 307630
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: O1C2(CC(C1)N)CCCCC2
• Canonical SMILES: NC1COC2(C1)CCCCC2
• InChI: InChI=1S/C9H17NO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7,10H2
• InChIKey: PSIITUUECNJZIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[4.5]decan-3-amine
• IUPAC Traditional name: 1-oxaspiro[4.5]decan-3-amine
• Synonyms: 1-oxaspiro[4.5]dec-3-ylamine

Database IDs

• CAS Number: 915924-46-8
• MDL Number: MFCD08060055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0015843
• LogD (pH = 7.4): -1.1780803
• Log P: 0.9988067
• Molar Refractivity: 44.4327 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 35.25 Å^2