1-oxaspiro[5.5]undecan-4-amine

• ChemBase ID: 240345
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: C12(OCCC(C1)N)CCCCC2
• Canonical SMILES: NC1CCOC2(C1)CCCCC2
• InChI: InChI=1S/C10H19NO/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h9H,1-8,11H2
• InChIKey: RRJGTXDGEXVCRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxaspiro[5.5]undecan-4-amine
• IUPAC Traditional name: 1-oxaspiro[5.5]undecan-4-amine
• Synonyms: 1-oxaspiro[5.5]undecan-4-amine

Database IDs

• MDL Number: MFCD19651223
• PubChem SID: 164296255
• PubChem CID: 64106253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9670231
• LogD (pH = 7.4): -1.6032962
• Log P: 1.0587665
• Molar Refractivity: 49.2981 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.959

Product Information

• Purity: 95%