N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate

C8H18N4O2 — CID 72608549

IUPACN-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate
SMILESCC([O-])=N[N+](C)(C)CC(=O)NN(C)C
InChIInChI=1S/C8H18N4O2/c1-7(13)10-12(4,5)6-8(14)9-11(2)3/h6H2,1-5H3,(H-,9,10,13,14)
InChIKeyKWDFHPZNVFANJY-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.65
Rot. Bonds4

About N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate

N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate (PubChem CID 72608549) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate
PubChem CID72608549
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC NameN-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate
SMILESCC([O-])=N[N+](C)(C)CC(=O)NN(C)C
InChIInChI=1S/C8H18N4O2/c1-7(13)10-12(4,5)6-8(14)9-11(2)3/h6H2,1-5H3,(H-,9,10,13,14)
InChIKeyKWDFHPZNVFANJY-UHFFFAOYSA-N
XLogP-1.65
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate?
The IUPAC name of N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate (CID 72608549) is N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate.
What is the SMILES notation for N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate?
The canonical SMILES for N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate is CC([O-])=N[N+](C)(C)CC(=O)NN(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate?
The InChIKey is KWDFHPZNVFANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-7(13)10-12(4,5)6-8(14)9-11(2)3/h6H2,1-5H3,(H-,9,10,13,14).
What are the key properties of N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate?
N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate has a molecular weight of 202.26 g/mol, XLogP of -1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate is sourced from PubChem (CID 72608549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).