{8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanamine

• ChemBase ID: 247633
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C12(OC(CO1)CN)CCC(CC2)C
• Canonical SMILES: NCC1COC2(O1)CCC(CC2)C
• InChI: InChI=1S/C10H19NO2/c1-8-2-4-10(5-3-8)12-7-9(6-11)13-10/h8-9H,2-7,11H2,1H3
• InChIKey: KBZIHOVRYVMRDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanamine
• IUPAC Traditional name: {8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanamine
• Synonyms: {8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanamine

Database IDs

• MDL Number: MFCD10032748
• PubChem SID: 164303543
• PubChem CID: 55263052

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6806376
• LogD (pH = 7.4): -0.67480177
• Log P: 1.298137
• Molar Refractivity: 50.6656 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.801

Product Information

• Purity: 95%