methyl[2-(oxolan-2-yl)ethyl]amine

• ChemBase ID: 245691
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(CCNC)CCC1
• Canonical SMILES: CNCCC1CCCO1
• InChI: InChI=1S/C7H15NO/c1-8-5-4-7-3-2-6-9-7/h7-8H,2-6H2,1H3
• InChIKey: KHXLJWOBDMGMCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxolan-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(oxolan-2-yl)ethyl]amine
• Synonyms: methyl[2-(oxolan-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD12825735
• PubChem SID: 164301601
• PubChem CID: 20773508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9445574
• LogD (pH = 7.4): -2.4533834
• Log P: 0.2856703
• Molar Refractivity: 37.8135 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.418

Product Information

• Purity: 95%