diethylamino(oxo)azanium

C4H11N2O+ — CID 139032465

IUPACdiethylamino(oxo)azanium
SMILESCCN(CC)[NH+]=O
InChIInChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/p+1
InChIKeyWBNQDOYYEUMPFS-UHFFFAOYSA-O
MW103.14 g/mol
LogP-0.91
Rot. Bonds3

About diethylamino(oxo)azanium

diethylamino(oxo)azanium (PubChem CID 139032465) has the molecular formula C4H11N2O+ and a molecular weight of 103.14 g/mol. Its IUPAC name is diethylamino(oxo)azanium.

Molecular Properties

Compound Namediethylamino(oxo)azanium
PubChem CID139032465
Molecular FormulaC4H11N2O+
Molecular Weight103.14 g/mol
Exact Mass103.09
IUPAC Namediethylamino(oxo)azanium
SMILESCCN(CC)[NH+]=O
InChIInChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/p+1
InChIKeyWBNQDOYYEUMPFS-UHFFFAOYSA-O
XLogP-0.91
TPSA34.28 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylamino(oxo)azanium?
The IUPAC name of diethylamino(oxo)azanium (CID 139032465) is diethylamino(oxo)azanium.
What is the SMILES notation for diethylamino(oxo)azanium?
The canonical SMILES for diethylamino(oxo)azanium is CCN(CC)[NH+]=O.
What is the InChIKey of diethylamino(oxo)azanium?
The InChIKey is WBNQDOYYEUMPFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/p+1.
What are the key properties of diethylamino(oxo)azanium?
diethylamino(oxo)azanium has a molecular weight of 103.14 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino(oxo)azanium is sourced from PubChem (CID 139032465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).