2-(oxolan-2-yl)-5,6,7,8-tetrahydroindolizin-3-amine

• ChemBase ID: 236253
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(c(n2c(c1)CCCC2)N)C1OCCC1
• Canonical SMILES: Nc1c(cc2n1CCCC2)C1CCCO1
• InChI: InChI=1S/C12H18N2O/c13-12-10(11-5-3-7-15-11)8-9-4-1-2-6-14(9)12/h8,11H,1-7,13H2
• InChIKey: WYBUIJKFIMKNOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-yl)-5,6,7,8-tetrahydroindolizin-3-amine
• IUPAC Traditional name: 2-(oxolan-2-yl)-5,6,7,8-tetrahydroindolizin-3-amine
• Synonyms: 2-(oxolan-2-yl)-5,6,7,8-tetrahydroindolizin-3-amine

Database IDs

• MDL Number: MFCD22196550
• PubChem SID: 164292163
• PubChem CID: 71755678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5641595
• LogD (pH = 7.4): 1.5715369
• Log P: 1.5716318
• Molar Refractivity: 60.9886 cm^3
• Polarizability: 22.97407 Å^3
• Polar Surface Area: 40.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%