diamino-(aminooxymethyl)-methoxyazanium

C2H11N4O2+ — CID 163570183

IUPACdiamino-(aminooxymethyl)-methoxyazanium
SMILESCO[N+](N)(N)CON
InChIInChI=1S/C2H11N4O2/c1-7-6(3,4)2-8-5/h2-5H2,1H3/q+1
InChIKeyBETXDQWWAUTTFL-UHFFFAOYSA-N
MW123.14 g/mol
LogP-2.04
Rot. Bonds3

About diamino-(aminooxymethyl)-methoxyazanium

diamino-(aminooxymethyl)-methoxyazanium (PubChem CID 163570183) has the molecular formula C2H11N4O2+ and a molecular weight of 123.14 g/mol. Its IUPAC name is diamino-(aminooxymethyl)-methoxyazanium.

Molecular Properties

Compound Namediamino-(aminooxymethyl)-methoxyazanium
PubChem CID163570183
Molecular FormulaC2H11N4O2+
Molecular Weight123.14 g/mol
Exact Mass123.09
IUPAC Namediamino-(aminooxymethyl)-methoxyazanium
SMILESCO[N+](N)(N)CON
InChIInChI=1S/C2H11N4O2/c1-7-6(3,4)2-8-5/h2-5H2,1H3/q+1
InChIKeyBETXDQWWAUTTFL-UHFFFAOYSA-N
XLogP-2.04
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.14
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 159864860
CID 159864860
O-ethylhydroxylamine;propan-2-ol
CID 174873596
O-methylhydroxylamine;propan-2-ol
CID 159942363
2-aminooxyethyl(trimethyl)azanium iodide
CID 70673690
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
O-[2-(2-methoxyethoxy)ethyl]hydroxylamine
CID 22285908
O-[2-[5-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethyl]pentoxy]ethyl]hydroxylamine
CID 166068197
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
dimethyl (2R,3S)-2,3-dihydroxypentanedioate
CID 10943312
dimethyl 2-[(E)-2-methylbut-2-enyl]propanedioate
CID 12754391
dimethyl (2S,3R)-2,3-dihydroxypentanedioate
CID 132966642
methyl (3S)-3-amino-4-methylpentanoate;methyl 4-methyl-3-oxopentanoate;sulfane
CID 165061048

Frequently Asked Questions

What is the IUPAC name of diamino-(aminooxymethyl)-methoxyazanium?
The IUPAC name of diamino-(aminooxymethyl)-methoxyazanium (CID 163570183) is diamino-(aminooxymethyl)-methoxyazanium.
What is the SMILES notation for diamino-(aminooxymethyl)-methoxyazanium?
The canonical SMILES for diamino-(aminooxymethyl)-methoxyazanium is CO[N+](N)(N)CON.
What is the InChIKey of diamino-(aminooxymethyl)-methoxyazanium?
The InChIKey is BETXDQWWAUTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H11N4O2/c1-7-6(3,4)2-8-5/h2-5H2,1H3/q+1.
What are the key properties of diamino-(aminooxymethyl)-methoxyazanium?
diamino-(aminooxymethyl)-methoxyazanium has a molecular weight of 123.14 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(aminooxymethyl)-methoxyazanium is sourced from PubChem (CID 163570183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).