N-methyl-octahydro-1H-quinolizin-1-amine

• ChemBase ID: 243553
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N12C(C(NC)CCC1)CCCC2
• Canonical SMILES: CNC1CCCN2C1CCCC2
• InChI: InChI=1S/C10H20N2/c1-11-9-5-4-8-12-7-3-2-6-10(9)12/h9-11H,2-8H2,1H3
• InChIKey: HWLXBPBFWALHTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578699
• PubChem SID: 164299463
• PubChem CID: 71757278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8199093
• LogD (pH = 7.4): -1.8049525
• Log P: 1.2014638
• Molar Refractivity: 51.7359 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.323

Product Information

• Purity: 95%