azane;diethoxy(oxo)azanium

C4H13N2O3+ — CID 87214857

IUPACazane;diethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC.N
InChIInChI=1S/C4H10NO3.H3N/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H3/q+1;
InChIKeyMNLLIZNOKZHDSB-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.83
Rot. Bonds4

About azane;diethoxy(oxo)azanium

azane;diethoxy(oxo)azanium (PubChem CID 87214857) has the molecular formula C4H13N2O3+ and a molecular weight of 137.16 g/mol. Its IUPAC name is azane;diethoxy(oxo)azanium.

Molecular Properties

Compound Nameazane;diethoxy(oxo)azanium
PubChem CID87214857
Molecular FormulaC4H13N2O3+
Molecular Weight137.16 g/mol
Exact Mass137.09
IUPAC Nameazane;diethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC.N
InChIInChI=1S/C4H10NO3.H3N/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H3/q+1;
InChIKeyMNLLIZNOKZHDSB-UHFFFAOYSA-N
XLogP0.83
TPSA73.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethoxy(oxo)azanium
CID 3366095
Diethoxyamine
CID 18179246
Oxo(dipropoxy)azanium
CID 57000422
Ethyl nitrate;methyl nitrate
CID 21069616
Azane;ethyl nitrite
CID 22320950
[Ethoxy(oxido)azaniumyl]oxyethane
CID 87189424
Azane;ethyl nitrate
CID 87214856
CID 87816665
CID 87816665
Diethoxy(oxo)azanium;dimethoxy(oxo)azanium
CID 87835191
Diethoxy(oxo)azanium nitrate
CID 87921918
Azane;oxo(dipropoxy)azanium
CID 88197909
Ethoxyazanium nitrate
CID 88261247

Frequently Asked Questions

What is the IUPAC name of azane;diethoxy(oxo)azanium?
The IUPAC name of azane;diethoxy(oxo)azanium (CID 87214857) is azane;diethoxy(oxo)azanium.
What is the SMILES notation for azane;diethoxy(oxo)azanium?
The canonical SMILES for azane;diethoxy(oxo)azanium is CCO[N+](=O)OCC.N.
What is the InChIKey of azane;diethoxy(oxo)azanium?
The InChIKey is MNLLIZNOKZHDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3.H3N/c1-3-7-5(6)8-4-2;/h3-4H2,1-2H3;1H3/q+1;.
What are the key properties of azane;diethoxy(oxo)azanium?
azane;diethoxy(oxo)azanium has a molecular weight of 137.16 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;diethoxy(oxo)azanium is sourced from PubChem (CID 87214857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).