2-methyloxan-4-amine

• ChemBase ID: 246145
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1C(CC(N)CC1)C
• Canonical SMILES: NC1CCOC(C1)C
• InChI: InChI=1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3
• InChIKey: QPXXGRHIYAAMDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxan-4-amine
• IUPAC Traditional name: 2-methyloxan-4-amine
• Synonyms: 2-methyloxan-4-amine

Database IDs

• MDL Number: MFCD16877673
• PubChem SID: 164302055
• PubChem CID: 23123995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2736351
• LogD (pH = 7.4): -2.9148574
• Log P: -0.24769774
• Molar Refractivity: 32.8131 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.513

Product Information

• Purity: 95%