N,N'-diethylethane-1,2-diimine oxide

C6H12N2O2 — CID 135546992

IUPACN,N'-diethylethane-1,2-diimine oxide
SMILESCC/[N+]([O-])=C/C=[N+](\[O-])CC
InChIInChI=1S/C6H12N2O2/c1-3-7(9)5-6-8(10)4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeySUZYAJYCBAMAHO-SFECMWDFSA-N
MW144.17 g/mol
LogP0.19
Rot. Bonds3

About N,N'-diethylethane-1,2-diimine oxide

N,N'-diethylethane-1,2-diimine oxide (PubChem CID 135546992) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N,N'-diethylethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-diethylethane-1,2-diimine oxide
PubChem CID135546992
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN,N'-diethylethane-1,2-diimine oxide
SMILESCC/[N+]([O-])=C/C=[N+](\[O-])CC
InChIInChI=1S/C6H12N2O2/c1-3-7(9)5-6-8(10)4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeySUZYAJYCBAMAHO-SFECMWDFSA-N
XLogP0.19
TPSA52.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethylethane-1,2-diimine oxide?
The IUPAC name of N,N'-diethylethane-1,2-diimine oxide (CID 135546992) is N,N'-diethylethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-diethylethane-1,2-diimine oxide?
The canonical SMILES for N,N'-diethylethane-1,2-diimine oxide is CC/[N+]([O-])=C/C=[N+](\[O-])CC.
What is the InChIKey of N,N'-diethylethane-1,2-diimine oxide?
The InChIKey is SUZYAJYCBAMAHO-SFECMWDFSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-7(9)5-6-8(10)4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of N,N'-diethylethane-1,2-diimine oxide?
N,N'-diethylethane-1,2-diimine oxide has a molecular weight of 144.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylethane-1,2-diimine oxide is sourced from PubChem (CID 135546992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).