octahydro-1H-quinolizin-1-amine

• ChemBase ID: 243544
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N12C(C(N)CCC1)CCCC2
• Canonical SMILES: NC1CCCN2C1CCCC2
• InChI: InChI=1S/C9H18N2/c10-8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7,10H2
• InChIKey: SHDAASRRPFQHIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09056791
• PubChem SID: 164299454
• PubChem CID: 13549975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2879753
• LogD (pH = 7.4): -2.0219624
• Log P: 0.7688834
• Molar Refractivity: 46.9613 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): 1.036

Product Information

• Purity: 95%