sodium N-diazenyl-N-ethylethanamine

C4H11N3Na+ — CID 172778091

IUPACsodium N-diazenyl-N-ethylethanamine
SMILES[H]/N=N/N(CC)CC.[Na+]
InChIInChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/q;+1/b6-5+;
InChIKeyNWLYUEZBUSMIJH-IPZCTEOASA-N
MW124.14 g/mol
LogP-1.72
Rot. Bonds3

About sodium N-diazenyl-N-ethylethanamine

sodium N-diazenyl-N-ethylethanamine (PubChem CID 172778091) has the molecular formula C4H11N3Na+ and a molecular weight of 124.14 g/mol. Its IUPAC name is sodium N-diazenyl-N-ethylethanamine.

Molecular Properties

Compound Namesodium N-diazenyl-N-ethylethanamine
PubChem CID172778091
Molecular FormulaC4H11N3Na+
Molecular Weight124.14 g/mol
Exact Mass124.08
IUPAC Namesodium N-diazenyl-N-ethylethanamine
SMILES[H]/N=N/N(CC)CC.[Na+]
InChIInChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/q;+1/b6-5+;
InChIKeyNWLYUEZBUSMIJH-IPZCTEOASA-N
XLogP-1.72
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-1.72
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'}

Analyze sodium N-diazenyl-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Diethylhydrazine
CID 69222
Diethyldiazenium bromide
CID 129785200
N-diazenyl-N-ethylethanamine
CID 54328566
3,3-Di-n-propyltriazene
CID 129690886
Diethylaminyl tetrazene
CID 129657257
N-ethyl-N-(ethyldiazenyl)ethanamine
CID 13030566
Diamino(diethyl)azanium
CID 17900287
N-diazenyl-N-methylethanamine
CID 54379070
N-amino-N-(diethylamino)methanamine
CID 54402100
Sodium (diethylhydrazinylidene)azanide
CID 87407533
Diethylamino-imino-oxidoazanium
CID 145424139
CID 160601453
CID 160601453

Frequently Asked Questions

What is the IUPAC name of sodium N-diazenyl-N-ethylethanamine?
The IUPAC name of sodium N-diazenyl-N-ethylethanamine (CID 172778091) is sodium N-diazenyl-N-ethylethanamine.
What is the SMILES notation for sodium N-diazenyl-N-ethylethanamine?
The canonical SMILES for sodium N-diazenyl-N-ethylethanamine is [H]/N=N/N(CC)CC.[Na+].
What is the InChIKey of sodium N-diazenyl-N-ethylethanamine?
The InChIKey is NWLYUEZBUSMIJH-IPZCTEOASA-N. The full InChI is InChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/q;+1/b6-5+;.
What are the key properties of sodium N-diazenyl-N-ethylethanamine?
sodium N-diazenyl-N-ethylethanamine has a molecular weight of 124.14 g/mol, XLogP of -1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-diazenyl-N-ethylethanamine is sourced from PubChem (CID 172778091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).