diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium

C14H30N2O3+2 — CID 3053864

IUPACdiethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium
SMILESCC[N+](C)(CC)CCOC(=O)C[N+]1(C)CCOCC1
InChIInChI=1S/C14H30N2O3/c1-5-15(3,6-2)9-12-19-14(17)13-16(4)7-10-18-11-8-16/h5-13H2,1-4H3/q+2
InChIKeyJZIYAZLFJRKSGC-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.49
Rot. Bonds7

About diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium

diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium (PubChem CID 3053864) has the molecular formula C14H30N2O3+2 and a molecular weight of 274.40 g/mol. Its IUPAC name is diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium
PubChem CID3053864
Molecular FormulaC14H30N2O3+2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC Namediethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium
SMILESCC[N+](C)(CC)CCOC(=O)C[N+]1(C)CCOCC1
InChIInChI=1S/C14H30N2O3/c1-5-15(3,6-2)9-12-19-14(17)13-16(4)7-10-18-11-8-16/h5-13H2,1-4H3/q+2
InChIKeyJZIYAZLFJRKSGC-UHFFFAOYSA-N
XLogP0.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium?
The IUPAC name of diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium (CID 3053864) is diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium.
What is the SMILES notation for diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium?
The canonical SMILES for diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium is CC[N+](C)(CC)CCOC(=O)C[N+]1(C)CCOCC1.
What is the InChIKey of diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium?
The InChIKey is JZIYAZLFJRKSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-5-15(3,6-2)9-12-19-14(17)13-16(4)7-10-18-11-8-16/h5-13H2,1-4H3/q+2.
What are the key properties of diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium?
diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium has a molecular weight of 274.40 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium is sourced from PubChem (CID 3053864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).