diethyl-(2-methoxyethyl)-methylazanium iodide

C8H20INO — CID 71374868

IUPACdiethyl-(2-methoxyethyl)-methylazanium iodide
SMILESCC[N+](C)(CC)CCOC.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-9(3,6-2)7-8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyJLFVMLUGHPBHAQ-UHFFFAOYSA-M
MW273.16 g/mol
LogP-1.88
Rot. Bonds5

About diethyl-(2-methoxyethyl)-methylazanium iodide

diethyl-(2-methoxyethyl)-methylazanium iodide (PubChem CID 71374868) has the molecular formula C8H20INO and a molecular weight of 273.16 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium iodide.

Molecular Properties

Compound Namediethyl-(2-methoxyethyl)-methylazanium iodide
PubChem CID71374868
Molecular FormulaC8H20INO
Molecular Weight273.16 g/mol
Exact Mass273.06
IUPAC Namediethyl-(2-methoxyethyl)-methylazanium iodide
SMILESCC[N+](C)(CC)CCOC.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-9(3,6-2)7-8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyJLFVMLUGHPBHAQ-UHFFFAOYSA-M
XLogP-1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
diethyl-[2-(2-methoxyethoxy)ethyl]-methylazanium chloride
CID 167445594
diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
CID 157061128
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572
triethyl(2-methoxyethyl)azanium
CID 3026728
2-methoxyethyl-methyl-dioctylazanium
CID 19839301
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 146629304
ethyl-(methoxymethyl)-methyl-propylazanium
CID 87334000
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methoxyethyl)-methylazanium iodide?
The IUPAC name of diethyl-(2-methoxyethyl)-methylazanium iodide (CID 71374868) is diethyl-(2-methoxyethyl)-methylazanium iodide.
What is the SMILES notation for diethyl-(2-methoxyethyl)-methylazanium iodide?
The canonical SMILES for diethyl-(2-methoxyethyl)-methylazanium iodide is CC[N+](C)(CC)CCOC.[I-].
What is the InChIKey of diethyl-(2-methoxyethyl)-methylazanium iodide?
The InChIKey is JLFVMLUGHPBHAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.HI/c1-5-9(3,6-2)7-8-10-4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-(2-methoxyethyl)-methylazanium iodide?
diethyl-(2-methoxyethyl)-methylazanium iodide has a molecular weight of 273.16 g/mol, XLogP of -1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyethyl)-methylazanium iodide is sourced from PubChem (CID 71374868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).