[(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](propyl)amine

• ChemBase ID: 120240
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N12[C@@H]([C@H](CNCCC)CCC1)CCCC2
• Canonical SMILES: CCCNC[C@@H]1CCCN2[C@@H]1CCCC2
• InChI: InChI=1S/C13H26N2/c1-2-8-14-11-12-6-5-10-15-9-4-3-7-13(12)15/h12-14H,2-11H2,1H3/t12-,13+/m0/s1
• InChIKey: ZFTMSBRKTZIYBZ-QWHCGFSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](propyl)amine
• IUPAC Traditional name: [(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](propyl)amine
• Synonyms: N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)propan-1-amine

Database IDs

• PubChem SID: 162214593
• PubChem CID: 71307991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4858477
• LogD (pH = 7.4): -1.5369267
• Log P: 2.1255486
• Molar Refractivity: 65.9485 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds