4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium

C18H36N2O2+2 — CID 129425858

IUPAC4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium
SMILESC[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCOCC1
InChIInChI=1S/C18H36N2O2/c1-19(10-13-21-14-11-19)12-15-22-16-17-6-5-9-20(2)8-4-3-7-18(17)20/h17-18H,3-16H2,1-2H3/q+2/t17-,18+,20-/m0/s1
InChIKeyCDFJUUFTPWMARE-NSHGMRRFSA-N
MW312.50 g/mol
LogP1.89
Rot. Bonds5

About 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium

4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium (PubChem CID 129425858) has the molecular formula C18H36N2O2+2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium
PubChem CID129425858
Molecular FormulaC18H36N2O2+2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium
SMILESC[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCOCC1
InChIInChI=1S/C18H36N2O2/c1-19(10-13-21-14-11-19)12-15-22-16-17-6-5-9-20(2)8-4-3-7-18(17)20/h17-18H,3-16H2,1-2H3/q+2/t17-,18+,20-/m0/s1
InChIKeyCDFJUUFTPWMARE-NSHGMRRFSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
CID 7078936
4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
CID 7078937
4-[(2R)-2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
CID 124784719
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol iodide
CID 45042165
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
[(1R,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl (2S)-2-hydroxypropanoate
CID 129449164
2-[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]ethanol
CID 6955094
bis[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl] decanedioate
CID 10485428
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
CID 3051930
[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl piperidine-4-carboxylate
CID 129449109
bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
CID 21119534
3-[(1R,5R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]propan-1-ol
CID 124766656

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium?
The IUPAC name of 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium (CID 129425858) is 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium?
The canonical SMILES for 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium is C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCOCC1.
What is the InChIKey of 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium?
The InChIKey is CDFJUUFTPWMARE-NSHGMRRFSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-19(10-13-21-14-11-19)12-15-22-16-17-6-5-9-20(2)8-4-3-7-18(17)20/h17-18H,3-16H2,1-2H3/q+2/t17-,18+,20-/m0/s1.
What are the key properties of 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium?
4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium has a molecular weight of 312.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium is sourced from PubChem (CID 129425858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).