octahydroindolizin-1-amine

• ChemBase ID: 258339
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N12C(C(CC1)N)CCCC2
• Canonical SMILES: NC1CCN2C1CCCC2
• InChI: InChI=1S/C8H16N2/c9-7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6,9H2
• InChIKey: RBFAPBHHGYLKEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizin-1-amine
• IUPAC Traditional name: octahydroindolizin-1-amine
• Synonyms: octahydroindolizin-1-amine

Database IDs

• MDL Number: MFCD11857793
• PubChem SID: 164314249
• PubChem CID: 43810752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.108791
• LogD (pH = 7.4): -3.2310872
• Log P: 0.25152072
• Molar Refractivity: 42.3167 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.477

Product Information

• Purity: 95%