(1S,9aR)-octahydro-1H-quinolizin-1-ylmethanamine hydrochloride

• ChemBase ID: 225441
• Molecular Formular: C10H21ClN2
• Molecular Mass: 204.74014
• Monoisotopic Mass: 204.13932636
• SMILES: N12[C@@H]([C@H](CN)CCC1)CCCC2.Cl
• Canonical SMILES: NC[C@@H]1CCCN2[C@@H]1CCCC2.Cl
• InChI: InChI=1S/C10H20N2.ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8,11H2;1H/t9-,10+;/m0./s1
• InChIKey: LAGDTPPZKWZXDS-BAUSSPIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,9aR)-octahydro-1H-quinolizin-1-ylmethanamine hydrochloride
• IUPAC Traditional name: (1S,9aR)-octahydro-1H-quinolizin-1-ylmethanamine hydrochloride

Database IDs

• PubChem SID: 164281351
• PubChem CID: 56763642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.194053
• LogD (pH = 7.4): -3.0767612
• Log P: 0.8136379
• Molar Refractivity: 51.9013 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCL
• Classification: Derivatives & analogs of Natural Compounds