hexahydro-1H-pyrrolizin-1-amine

• ChemBase ID: 258096
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N12C(C(CC1)N)CCC2
• Canonical SMILES: NC1CCN2C1CCC2
• InChI: InChI=1S/C7H14N2/c8-6-3-5-9-4-1-2-7(6)9/h6-7H,1-5,8H2
• InChIKey: NEZWZGLYKBFCQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolizin-1-amine
• IUPAC Traditional name: hexahydro-1H-pyrrolizin-1-amine
• Synonyms: hexahydro-1H-pyrrolizin-1-amine

Database IDs

• MDL Number: MFCD11204143
• PubChem SID: 164314006
• PubChem CID: 21088081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4654336
• LogD (pH = 7.4): -3.4272473
• Log P: -0.19304794
• Molar Refractivity: 37.7157 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.082

Product Information

• Purity: 95%