methyl(oxan-3-ylmethyl)amine

• ChemBase ID: 272085
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1CC(CNC)CCC1
• Canonical SMILES: CNCC1CCCOC1
• InChI: InChI=1S/C7H15NO/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
• InChIKey: SFDNBVAIWWHHQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(oxan-3-ylmethyl)amine
• IUPAC Traditional name: methyl(oxan-3-ylmethyl)amine
• Synonyms: methyl(oxan-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD11007817
• PubChem SID: 164327995
• PubChem CID: 12700139

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.963182
• LogD (pH = 7.4): -2.5658312
• Log P: 0.2704651
• Molar Refractivity: 37.8881 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.267

Product Information

• Purity: 95%