methyl[1-(oxan-4-yl)-2-(pyrrolidin-1-yl)ethyl]amine

• ChemBase ID: 799851
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N(C(CN1CCCC1)C1CCOCC1)C
• Canonical SMILES: CNC(C1CCOCC1)CN1CCCC1
• InChI: InChI=1S/C12H24N2O/c1-13-12(10-14-6-2-3-7-14)11-4-8-15-9-5-11/h11-13H,2-10H2,1H3
• InChIKey: NNOWKUNCHNLIAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(oxan-4-yl)-2-(pyrrolidin-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(oxan-4-yl)-2-(pyrrolidin-1-yl)ethyl]amine
• Synonyms: Methyl-[2-pyrrolidin-1-yl-1-(tetrahydro-pyran-4-yl)-ethyl]-amine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.362313
• LogD (pH = 7.4): -2.3657014
• Log P: 0.7131174
• Molar Refractivity: 63.2172 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%