octahydro-1H-quinolizin-2-amine

• ChemBase ID: 261915
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N12C(CC(CC1)N)CCCC2
• Canonical SMILES: NC1CCN2C(C1)CCCC2
• InChI: InChI=1S/C9H18N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h8-9H,1-7,10H2
• InChIKey: QTYYLKWVPVUNET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-quinolizin-2-amine
• IUPAC Traditional name: octahydro-1H-quinolizin-2-amine
• Synonyms: octahydro-1H-quinolizin-2-amine

Database IDs

• MDL Number: MFCD09940642
• PubChem SID: 164317825
• PubChem CID: 12783915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6916914
• LogD (pH = 7.4): -3.6742399
• Log P: 0.31148046
• Molar Refractivity: 47.1821 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.137

Product Information

• Purity: 95%