[(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](ethyl)[3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 700548
• Molecular Formular: C19H37N3O
• Molecular Mass: 323.51658
• Monoisotopic Mass: 323.29366282
• SMILES: N12[C@@H]([C@H](CN(CCCN3CCOCC3)CC)CCC1)CCCC2
• Canonical SMILES: CCN(C[C@@H]1CCCN2[C@@H]1CCCC2)CCCN1CCOCC1
• InChI: InChI=1S/C19H37N3O/c1-2-20(9-6-10-21-13-15-23-16-14-21)17-18-7-5-12-22-11-4-3-8-19(18)22/h18-19H,2-17H2,1H3/t18-,19+/m0/s1
• InChIKey: XMCUUFJJPPTFEY-RBUKOAKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](ethyl)[3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(1S,9aR)-octahydro-1H-quinolizin-1-ylmethyl](ethyl)[3-(morpholin-4-yl)propyl]amine
• Synonyms: N-ethyl-3-morpholin-4-yl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.042426
• LogD (pH = 7.4): -1.6066171
• Log P: 1.846178
• Molar Refractivity: 98.6782 cm^3
• Polarizability: 38.8257 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -2.82
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 7