2,6-dimethyloxan-4-amine

• ChemBase ID: 245707
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(CC(CC1C)N)C
• Canonical SMILES: NC1CC(C)OC(C1)C
• InChI: InChI=1S/C7H15NO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4,8H2,1-2H3
• InChIKey: KFHJTIAGNFALSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyloxan-4-amine
• IUPAC Traditional name: 2,6-dimethyloxan-4-amine
• Synonyms: 2,6-dimethyloxan-4-amine

Database IDs

• MDL Number: MFCD18814947
• PubChem SID: 164301617
• PubChem CID: 420586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8569236
• LogD (pH = 7.4): -2.4935713
• Log P: 0.16887727
• Molar Refractivity: 37.2319 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0060

Product Information

• Purity: 95%