bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide

C24H56I2N4O4+2 — CID 21119534

IUPACbis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
SMILESC[N+](C)(C)CCOCC[N+]1(C)CCOCC1.C[N+](C)(C)CCOCC[N+]1(C)CCOCC1.[I-].[I-]
InChIInChI=1S/2C12H28N2O2.2HI/c2*1-13(2,3)5-9-15-10-6-14(4)7-11-16-12-8-14;;/h2*5-12H2,1-4H3;2*1H/q2*+2;;/p-2
InChIKeyRAWZBIRIXQRNQG-UHFFFAOYSA-L
MW718.54 g/mol
LogP-5.62
Rot. Bonds12

About bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide

bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide (PubChem CID 21119534) has the molecular formula C24H56I2N4O4+2 and a molecular weight of 718.54 g/mol. Its IUPAC name is bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide.

Molecular Properties

Compound Namebis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
PubChem CID21119534
Molecular FormulaC24H56I2N4O4+2
Molecular Weight718.54 g/mol
Exact Mass718.24
IUPAC Namebis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
SMILESC[N+](C)(C)CCOCC[N+]1(C)CCOCC1.C[N+](C)(C)CCOCC[N+]1(C)CCOCC1.[I-].[I-]
InChIInChI=1S/2C12H28N2O2.2HI/c2*1-13(2,3)5-9-15-10-6-14(4)7-11-16-12-8-14;;/h2*5-12H2,1-4H3;2*1H/q2*+2;;/p-2
InChIKeyRAWZBIRIXQRNQG-UHFFFAOYSA-L
XLogP-5.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.54
LogP ≤ 5-5.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium) diiodide
CID 21152309
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
trimethyl-[3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]-3-oxopropyl]azanium
CID 3029482
1-methyl-1-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium diiodide
CID 3048564
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
CID 118645449
N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide
CID 54135629
4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645555
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
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
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-hydroxycyclohexyl)acetate iodide
CID 3053875
5-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]pentyl 3-(4-methylmorpholin-4-ium-4-yl)propanoate
CID 10484596
2-dodecoxyethyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
CID 10694275

Frequently Asked Questions

What is the IUPAC name of bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide?
The IUPAC name of bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide (CID 21119534) is bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide.
What is the SMILES notation for bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide?
The canonical SMILES for bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide is C[N+](C)(C)CCOCC[N+]1(C)CCOCC1.C[N+](C)(C)CCOCC[N+]1(C)CCOCC1.[I-].[I-].
What is the InChIKey of bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide?
The InChIKey is RAWZBIRIXQRNQG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H28N2O2.2HI/c2*1-13(2,3)5-9-15-10-6-14(4)7-11-16-12-8-14;;/h2*5-12H2,1-4H3;2*1H/q2*+2;;/p-2.
What are the key properties of bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide?
bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide has a molecular weight of 718.54 g/mol, XLogP of -5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide is sourced from PubChem (CID 21119534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).