2-ethenylimino-N'-ethylethanimidamide

C6H11N3 — CID 90250548

IUPAC2-ethenylimino-N'-ethylethanimidamide
SMILESC=C/N=C/C(N)=N/CC
InChIInChI=1S/C6H11N3/c1-3-8-5-6(7)9-4-2/h3,5H,1,4H2,2H3,(H2,7,9)/b8-5+
InChIKeyRQEFTLKBUWLUJK-VMPITWQZSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds3

About 2-ethenylimino-N'-ethylethanimidamide

2-ethenylimino-N'-ethylethanimidamide (PubChem CID 90250548) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethenylimino-N'-ethylethanimidamide.

Molecular Properties

Compound Name2-ethenylimino-N'-ethylethanimidamide
PubChem CID90250548
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-ethenylimino-N'-ethylethanimidamide
SMILESC=C/N=C/C(N)=N/CC
InChIInChI=1S/C6H11N3/c1-3-8-5-6(7)9-4-2/h3,5H,1,4H2,2H3,(H2,7,9)/b8-5+
InChIKeyRQEFTLKBUWLUJK-VMPITWQZSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N'-ethylethanimidamide?
The IUPAC name of 2-ethenylimino-N'-ethylethanimidamide (CID 90250548) is 2-ethenylimino-N'-ethylethanimidamide.
What is the SMILES notation for 2-ethenylimino-N'-ethylethanimidamide?
The canonical SMILES for 2-ethenylimino-N'-ethylethanimidamide is C=C/N=C/C(N)=N/CC.
What is the InChIKey of 2-ethenylimino-N'-ethylethanimidamide?
The InChIKey is RQEFTLKBUWLUJK-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-8-5-6(7)9-4-2/h3,5H,1,4H2,2H3,(H2,7,9)/b8-5+.
What are the key properties of 2-ethenylimino-N'-ethylethanimidamide?
2-ethenylimino-N'-ethylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N'-ethylethanimidamide is sourced from PubChem (CID 90250548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).