diethylamino-imino-oxidoazanium

C4H11N3O — CID 145424139

IUPACdiethylamino-imino-oxidoazanium
SMILES[H]/N=[N+](\[O-])N(CC)CC
InChIInChI=1S/C4H11N3O/c1-3-6(4-2)7(5)8/h5H,3-4H2,1-2H3/b7-5-
InChIKeyIDYGNMLIKOAQRE-ALCCZGGFSA-N
MW117.15 g/mol
LogP0.78
Rot. Bonds3

About diethylamino-imino-oxidoazanium

diethylamino-imino-oxidoazanium (PubChem CID 145424139) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is diethylamino-imino-oxidoazanium.

Molecular Properties

Compound Namediethylamino-imino-oxidoazanium
PubChem CID145424139
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Namediethylamino-imino-oxidoazanium
SMILES[H]/N=[N+](\[O-])N(CC)CC
InChIInChI=1S/C4H11N3O/c1-3-6(4-2)7(5)8/h5H,3-4H2,1-2H3/b7-5-
InChIKeyIDYGNMLIKOAQRE-ALCCZGGFSA-N
XLogP0.78
TPSA53.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-diazenyl-N-ethylethanamine
CID 54328566
N-diethylnitrous amide
CID 87223186
1,1-Diethyl-2-nitroso-hydrazine
CID 89158951
Diethylamino(oxido)azanium
CID 124202330
N-(diethylamino)hydroxylamine
CID 18317170
1,1-Diethyl-2-methoxyhydrazine
CID 139478551
lithium N-ethyl-N-[(E)-oxidodiazenyl]ethanamine
CID 141641284
Imino-oxido-[propan-2-yl(propyl)amino]azanium
CID 144890018
N-(diethylamino)hydroxylamine;ethane
CID 145424107
Diethylamino-methylimino-oxidoazanium
CID 159758603
CID 160601453
CID 160601453
sodium N-diazenyl-N-ethylethanamine
CID 172778091

Frequently Asked Questions

What is the IUPAC name of diethylamino-imino-oxidoazanium?
The IUPAC name of diethylamino-imino-oxidoazanium (CID 145424139) is diethylamino-imino-oxidoazanium.
What is the SMILES notation for diethylamino-imino-oxidoazanium?
The canonical SMILES for diethylamino-imino-oxidoazanium is [H]/N=[N+](\[O-])N(CC)CC.
What is the InChIKey of diethylamino-imino-oxidoazanium?
The InChIKey is IDYGNMLIKOAQRE-ALCCZGGFSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3-6(4-2)7(5)8/h5H,3-4H2,1-2H3/b7-5-.
What are the key properties of diethylamino-imino-oxidoazanium?
diethylamino-imino-oxidoazanium has a molecular weight of 117.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-imino-oxidoazanium is sourced from PubChem (CID 145424139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).