N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide

C5H14IN2O4- — CID 163545347

IUPACN-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide
SMILESCOCCO[NH+]([O-])C[I-][NH+](C)[O-]
InChIInChI=1S/C5H14IN2O4/c1-7(9)6-5-8(10)12-4-3-11-2/h7-8H,3-5H2,1-2H3/q-1
InChIKeyIBHINIQRKWEACH-UHFFFAOYSA-N
MW293.08 g/mol
LogP-6.08
Rot. Bonds7

About N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide

N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide (PubChem CID 163545347) has the molecular formula C5H14IN2O4- and a molecular weight of 293.08 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide
PubChem CID163545347
Molecular FormulaC5H14IN2O4-
Molecular Weight293.08 g/mol
Exact Mass293.00
IUPAC NameN-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide
SMILESCOCCO[NH+]([O-])C[I-][NH+](C)[O-]
InChIInChI=1S/C5H14IN2O4/c1-7(9)6-5-8(10)12-4-3-11-2/h7-8H,3-5H2,1-2H3/q-1
InChIKeyIBHINIQRKWEACH-UHFFFAOYSA-N
XLogP-6.08
TPSA73.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 5-6.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethane
CID 118566183

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide?
The IUPAC name of N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide (CID 163545347) is N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide.
What is the SMILES notation for N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide?
The canonical SMILES for N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide is COCCO[NH+]([O-])C[I-][NH+](C)[O-].
What is the InChIKey of N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide?
The InChIKey is IBHINIQRKWEACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14IN2O4/c1-7(9)6-5-8(10)12-4-3-11-2/h7-8H,3-5H2,1-2H3/q-1.
What are the key properties of N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide?
N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide has a molecular weight of 293.08 g/mol, XLogP of -6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide is sourced from PubChem (CID 163545347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).