5-oxaspiro[3.5]nonan-8-amine

• ChemBase ID: 240558
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12(OCCC(C1)N)CCC2
• Canonical SMILES: NC1CCOC2(C1)CCC2
• InChI: InChI=1S/C8H15NO/c9-7-2-5-10-8(6-7)3-1-4-8/h7H,1-6,9H2
• InChIKey: RMVLBZZOXGVWJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-oxaspiro[3.5]nonan-8-amine
• IUPAC Traditional name: 5-oxaspiro[3.5]nonan-8-amine
• Synonyms: 5-oxaspiro[3.5]nonan-8-amine

Database IDs

• MDL Number: MFCD22070835
• PubChem SID: 164296468
• PubChem CID: 66579504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8561604
• LogD (pH = 7.4): -2.4924335
• Log P: 0.16962914
• Molar Refractivity: 40.0961 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.159

Product Information

• Purity: 95%