9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine

• ChemBase ID: 310152
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C12(OCCC(C1)N)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)OCCC(C2)N
• InChI: InChI=1S/C10H20N2O/c1-12-5-3-10(4-6-12)8-9(11)2-7-13-10/h9H,2-8,11H2,1H3
• InChIKey: PQZYFIHGGMLLRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
• IUPAC Traditional name: 9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
• Synonyms: 9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.183255
• LogD (pH = 7.4): -5.7896624
• Log P: -0.7136979
• Molar Refractivity: 53.735 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2