N-(2-ethenyliminoethylidene)ethanimidamide

C6H9N3 — CID 123236638

IUPACN-(2-ethenyliminoethylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C=N/C=C
InChIInChI=1S/C6H9N3/c1-3-8-4-5-9-6(2)7/h3-5,7H,1H2,2H3/b7-6+,8-4+,9-5+
InChIKeyUIWYBSDVVBXCDO-BXKLSQPPSA-N
MW123.16 g/mol
LogP1.27
Rot. Bonds2

About N-(2-ethenyliminoethylidene)ethanimidamide

N-(2-ethenyliminoethylidene)ethanimidamide (PubChem CID 123236638) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-(2-ethenyliminoethylidene)ethanimidamide.

Molecular Properties

Compound NameN-(2-ethenyliminoethylidene)ethanimidamide
PubChem CID123236638
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-(2-ethenyliminoethylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C=N/C=C
InChIInChI=1S/C6H9N3/c1-3-8-4-5-9-6(2)7/h3-5,7H,1H2,2H3/b7-6+,8-4+,9-5+
InChIKeyUIWYBSDVVBXCDO-BXKLSQPPSA-N
XLogP1.27
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.27
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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Related Compounds

1-Methylpyrazin-2-imine;hydrobromide
CID 90654304
1-Methylpyrazin-2-imine
CID 90654305
N'-(ethenyliminomethyl)ethanimidamide
CID 88888742
N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide
CID 89029563
2-ethenylimino-N'-ethylethanimidamide
CID 90250548
(Z)-2-(ethylideneamino)ethenamine
CID 90695711
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339
N-(2-prop-1-enyliminoethylidene)ethanimidamide
CID 123367124
N'-ethenylethanimidamide
CID 123655626
2-Ethenyl-1-ethylideneguanidine
CID 123718610
N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide
CID 129288737
N,N-bis(ethenyl)-2-methyliminoethanimidamide
CID 130249000

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyliminoethylidene)ethanimidamide?
The IUPAC name of N-(2-ethenyliminoethylidene)ethanimidamide (CID 123236638) is N-(2-ethenyliminoethylidene)ethanimidamide.
What is the SMILES notation for N-(2-ethenyliminoethylidene)ethanimidamide?
The canonical SMILES for N-(2-ethenyliminoethylidene)ethanimidamide is [H]/N=C(C)/N=C/C=N/C=C.
What is the InChIKey of N-(2-ethenyliminoethylidene)ethanimidamide?
The InChIKey is UIWYBSDVVBXCDO-BXKLSQPPSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-8-4-5-9-6(2)7/h3-5,7H,1H2,2H3/b7-6+,8-4+,9-5+.
What are the key properties of N-(2-ethenyliminoethylidene)ethanimidamide?
N-(2-ethenyliminoethylidene)ethanimidamide has a molecular weight of 123.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyliminoethylidene)ethanimidamide is sourced from PubChem (CID 123236638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).