2,2-diethoxyethyldiazene

C6H14N2O2 — CID 59807361

IUPAC2,2-diethoxyethyldiazene
SMILES[H]/N=N/CC(OCC)OCC
InChIInChI=1S/C6H14N2O2/c1-3-9-6(5-8-7)10-4-2/h6-7H,3-5H2,1-2H3/b8-7+
InChIKeyTTWKZAFHVDBCHU-BQYQJAHWSA-N
MW146.19 g/mol
LogP1.42
Rot. Bonds6

About 2,2-diethoxyethyldiazene

2,2-diethoxyethyldiazene (PubChem CID 59807361) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,2-diethoxyethyldiazene.

Molecular Properties

Compound Name2,2-diethoxyethyldiazene
PubChem CID59807361
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2,2-diethoxyethyldiazene
SMILES[H]/N=N/CC(OCC)OCC
InChIInChI=1S/C6H14N2O2/c1-3-9-6(5-8-7)10-4-2/h6-7H,3-5H2,1-2H3/b8-7+
InChIKeyTTWKZAFHVDBCHU-BQYQJAHWSA-N
XLogP1.42
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-diethoxyethyl)methanediimine
CID 10749464
2-ethoxypropane-1,3-diimine
CID 123387663
3,3-diethoxypropyl carbamimidothioate
CID 81090658
methyl N'-(2,2-diethoxyethyl)carbamimidothioate
CID 15816903
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
CID 57451317
CID 57451317
methyl N'-(2,2-diethoxyethyl)carbamimidothioate;hydrochloride
CID 173292091
4-bromo-1,1-diethoxybutane
CID 568500
lithium 1,1-diethoxypropane
CID 11355511
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857
3-deuterio-1,1-diethoxypropane
CID 15618247
1-ethoxypropyl hypoiodite
CID 88918187

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyldiazene?
The IUPAC name of 2,2-diethoxyethyldiazene (CID 59807361) is 2,2-diethoxyethyldiazene.
What is the SMILES notation for 2,2-diethoxyethyldiazene?
The canonical SMILES for 2,2-diethoxyethyldiazene is [H]/N=N/CC(OCC)OCC.
What is the InChIKey of 2,2-diethoxyethyldiazene?
The InChIKey is TTWKZAFHVDBCHU-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-9-6(5-8-7)10-4-2/h6-7H,3-5H2,1-2H3/b8-7+.
What are the key properties of 2,2-diethoxyethyldiazene?
2,2-diethoxyethyldiazene has a molecular weight of 146.19 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyldiazene is sourced from PubChem (CID 59807361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).