2-methyloxolan-3-amine

• ChemBase ID: 244875
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: O1C(C(N)CC1)C
• Canonical SMILES: NC1CCOC1C
• InChI: InChI=1S/C5H11NO/c1-4-5(6)2-3-7-4/h4-5H,2-3,6H2,1H3
• InChIKey: OBFFLNVYKSXULV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxolan-3-amine
• IUPAC Traditional name: 2-methyloxolan-3-amine
• Synonyms: 2-methyloxolan-3-amine

Database IDs

• MDL Number: MFCD19212768
• PubChem SID: 164300785
• PubChem CID: 17834171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3131247
• LogD (pH = 7.4): -2.5486076
• Log P: -0.30765748
• Molar Refractivity: 27.9477 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.185

Product Information

• Purity: 95%