2-Ethoxyethyl 2-iminoethanimidate

C₆H₁₂N₂O₂ — CID 143885971

About 2-Ethoxyethyl 2-iminoethanimidate

2-Ethoxyethyl 2-iminoethanimidate (PubChem CID 143885971) has the molecular formula C₆H₁₂N₂O₂ and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethoxyethyl 2-iminoethanimidate.

Molecular Properties

• Compound Name: 2-Ethoxyethyl 2-iminoethanimidate
• PubChem CID: 143885971
• Molecular Formula: C₆H₁₂N₂O₂
• Molecular Weight: 144.17 g/mol
• Exact Mass: 144.09
• IUPAC Name: 2-ethoxyethyl 2-iminoethanimidate
• SMILES: [H]/N=C(/C=N/[H])OCCOCC
• InChI: InChI=1S/C6H12N2O2/c1-2-9-3-4-10-6(8)5-7/h5,7-8H,2-4H2,1H3/b7-5+,8-6-
• InChIKey: RLSYEOOTZMOPTF-YMBWGVAGSA-N
• XLogP: 0.67
• TPSA: 66.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	144.17
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-Ethoxyethyl 2-iminoethanimidate?

The IUPAC name of 2-Ethoxyethyl 2-iminoethanimidate (CID 143885971) is 2-ethoxyethyl 2-iminoethanimidate.

What is the SMILES notation for 2-Ethoxyethyl 2-iminoethanimidate?

The canonical SMILES for 2-Ethoxyethyl 2-iminoethanimidate is [H]/N=C(/C=N/[H])OCCOCC.

What is the InChIKey of 2-Ethoxyethyl 2-iminoethanimidate?

The InChIKey is RLSYEOOTZMOPTF-YMBWGVAGSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-9-3-4-10-6(8)5-7/h5,7-8H,2-4H2,1H3/b7-5+,8-6-.

What are the key properties of 2-Ethoxyethyl 2-iminoethanimidate?

2-Ethoxyethyl 2-iminoethanimidate has a molecular weight of 144.17 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Ethoxyethyl 2-iminoethanimidate is sourced from PubChem (CID 143885971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143885971 — identifiers, structure, computed properties (public domain)

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