N,N'-diethyl-2-oxoethanimidamide

C6H12N2O — CID 123980775

IUPACN,N'-diethyl-2-oxoethanimidamide
SMILESCC/N=C(\C=O)NCC
InChIInChI=1S/C6H12N2O/c1-3-7-6(5-9)8-4-2/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyYQGZUQFABZSMCB-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.21
Rot. Bonds3

About N,N'-diethyl-2-oxoethanimidamide

N,N'-diethyl-2-oxoethanimidamide (PubChem CID 123980775) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N'-diethyl-2-oxoethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-2-oxoethanimidamide
PubChem CID123980775
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N'-diethyl-2-oxoethanimidamide
SMILESCC/N=C(\C=O)NCC
InChIInChI=1S/C6H12N2O/c1-3-7-6(5-9)8-4-2/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyYQGZUQFABZSMCB-UHFFFAOYSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 72526443
1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
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N,N'-diethylpropanimidamide;hydrochloride
CID 172818517
N,N'-diethyl-2-iodoethanimidamide
CID 135291555
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
CID 89094997
N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
2-(N,N'-diethylcarbamimidoyl)sulfanylethyl N,N'-diethylcarbamimidothioate;hydrobromide
CID 54604706
N-ethenyl-N'-ethylprop-2-enimidamide;molecular hydrogen
CID 143656468
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid
CID 173459255
N-ethylethanamine;oxoiron
CID 175322821

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-oxoethanimidamide?
The IUPAC name of N,N'-diethyl-2-oxoethanimidamide (CID 123980775) is N,N'-diethyl-2-oxoethanimidamide.
What is the SMILES notation for N,N'-diethyl-2-oxoethanimidamide?
The canonical SMILES for N,N'-diethyl-2-oxoethanimidamide is CC/N=C(\C=O)NCC.
What is the InChIKey of N,N'-diethyl-2-oxoethanimidamide?
The InChIKey is YQGZUQFABZSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-7-6(5-9)8-4-2/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N,N'-diethyl-2-oxoethanimidamide?
N,N'-diethyl-2-oxoethanimidamide has a molecular weight of 128.17 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-oxoethanimidamide is sourced from PubChem (CID 123980775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).