N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide

C2H8IN2O4- — CID 163419718

IUPACN-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide
SMILESCOO[NH+]([O-])[I-][NH+](C)[O-]
InChIInChI=1S/C2H8IN2O4/c1-4(6)3-5(7)9-8-2/h4-5H,1-2H3/q-1
InChIKeyQPDDPKSLHASZLD-UHFFFAOYSA-N
MW251.00 g/mol
LogP-6.21
Rot. Bonds4

About N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide

N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide (PubChem CID 163419718) has the molecular formula C2H8IN2O4- and a molecular weight of 251.00 g/mol. Its IUPAC name is N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide.

Molecular Properties

Compound NameN-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide
PubChem CID163419718
Molecular FormulaC2H8IN2O4-
Molecular Weight251.00 g/mol
Exact Mass250.95
IUPAC NameN-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide
SMILESCOO[NH+]([O-])[I-][NH+](C)[O-]
InChIInChI=1S/C2H8IN2O4/c1-4(6)3-5(7)9-8-2/h4-5H,1-2H3/q-1
InChIKeyQPDDPKSLHASZLD-UHFFFAOYSA-N
XLogP-6.21
TPSA73.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.00
LogP ≤ 5-6.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-[methoxy(oxido)azaniumyl]oxymethanamine oxide
CID 163801000
[[methoxy(oxido)azaniumyl]-methylazaniumyl]azanide
CID 163709816
N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide
CID 163584833
N-(2-methoxyethoxy)-1-[methyl(oxido)azaniumyl]iodanuidylmethanamine oxide
CID 163545347
1-methoxy-N-methyl-1-oxomethanamine oxide
CID 163557527
N,N'-dimethoxyhexane-1,6-diamine oxide
CID 163773390
copper;methylperoxymethane
CID 175286762
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
CID 163823086
N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
CID 163495644
N-(trimethylazaniumyl)oxymethanamine oxide
CID 163415913
N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide
CID 163752722
bis(N-methylmethanamine oxide);methyl(oxido)azanium
CID 159111842

Frequently Asked Questions

What is the IUPAC name of N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide?
The IUPAC name of N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide (CID 163419718) is N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide.
What is the SMILES notation for N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide?
The canonical SMILES for N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide is COO[NH+]([O-])[I-][NH+](C)[O-].
What is the InChIKey of N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide?
The InChIKey is QPDDPKSLHASZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8IN2O4/c1-4(6)3-5(7)9-8-2/h4-5H,1-2H3/q-1.
What are the key properties of N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide?
N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide has a molecular weight of 251.00 g/mol, XLogP of -6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide is sourced from PubChem (CID 163419718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).