2-(hexahydro-1H-pyrrolizin-7a-yl)ethan-1-amine

• ChemBase ID: 309053
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N12C(CCN)(CCC1)CCC2
• Canonical SMILES: NCCC12CCCN2CCC1
• InChI: InChI=1S/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2
• InChIKey: GSROTWURVBARHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hexahydro-1H-pyrrolizin-7a-yl)ethan-1-amine
• IUPAC Traditional name: 2-(hexahydropyrrolizin-7a-yl)ethanamine
• Synonyms: 2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethanamine

Database IDs

• CAS Number: 78449-78-2
• MDL Number: MFCD14702871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.1376433
• LogD (pH = 7.4): -4.6654415
• Log P: 0.24827611
• Molar Refractivity: 47.4451 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2