N-(diethylamino)nitrous amide

C4H11N3O — CID 89158951

IUPACN-(diethylamino)nitrous amide
SMILESCCN(CC)NN=O
InChIInChI=1S/C4H11N3O/c1-3-7(4-2)5-6-8/h3-4H2,1-2H3,(H,5,8)
InChIKeyPZDKNSMEXPRJRK-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.51
Rot. Bonds4

About N-(diethylamino)nitrous amide

N-(diethylamino)nitrous amide (PubChem CID 89158951) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(diethylamino)nitrous amide.

Molecular Properties

Compound NameN-(diethylamino)nitrous amide
PubChem CID89158951
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN-(diethylamino)nitrous amide
SMILESCCN(CC)NN=O
InChIInChI=1S/C4H11N3O/c1-3-7(4-2)5-6-8/h3-4H2,1-2H3,(H,5,8)
InChIKeyPZDKNSMEXPRJRK-UHFFFAOYSA-N
XLogP0.51
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(diethylamino)nitrous amide?
The IUPAC name of N-(diethylamino)nitrous amide (CID 89158951) is N-(diethylamino)nitrous amide.
What is the SMILES notation for N-(diethylamino)nitrous amide?
The canonical SMILES for N-(diethylamino)nitrous amide is CCN(CC)NN=O.
What is the InChIKey of N-(diethylamino)nitrous amide?
The InChIKey is PZDKNSMEXPRJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3-7(4-2)5-6-8/h3-4H2,1-2H3,(H,5,8).
What are the key properties of N-(diethylamino)nitrous amide?
N-(diethylamino)nitrous amide has a molecular weight of 117.15 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylamino)nitrous amide is sourced from PubChem (CID 89158951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).