hexahydro-1H-pyrrolizin-7a-ylmethanamine

• ChemBase ID: 309036
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N12C(CN)(CCC2)CCC1
• Canonical SMILES: NCC12CCCN2CCC1
• InChI: InChI=1S/C8H16N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-7,9H2
• InChIKey: YSMMVKXAJZFXHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolizin-7a-ylmethanamine
• IUPAC Traditional name: hexahydropyrrolizin-7a-ylmethanamine
• Synonyms: (tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine

Database IDs

• CAS Number: 78449-73-7
• MDL Number: MFCD13188618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1401587
• LogD (pH = 7.4): -3.2514172
• Log P: 0.18831638
• Molar Refractivity: 42.5797 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2