2-ethoxy-2-methoxyethanimidamide

C5H12N2O2 — CID 151212730

IUPAC2-ethoxy-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)OCC
InChIInChI=1S/C5H12N2O2/c1-3-9-5(8-2)4(6)7/h5H,3H2,1-2H3,(H3,6,7)
InChIKeyNKPSDMBLGOMWNF-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.07
Rot. Bonds4

About 2-ethoxy-2-methoxyethanimidamide

2-ethoxy-2-methoxyethanimidamide (PubChem CID 151212730) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-ethoxy-2-methoxyethanimidamide.

Molecular Properties

Compound Name2-ethoxy-2-methoxyethanimidamide
PubChem CID151212730
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-ethoxy-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)OCC
InChIInChI=1S/C5H12N2O2/c1-3-9-5(8-2)4(6)7/h5H,3H2,1-2H3,(H3,6,7)
InChIKeyNKPSDMBLGOMWNF-UHFFFAOYSA-N
XLogP-0.07
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-ethoxy-2-methoxyethanimidamide?
The IUPAC name of 2-ethoxy-2-methoxyethanimidamide (CID 151212730) is 2-ethoxy-2-methoxyethanimidamide.
What is the SMILES notation for 2-ethoxy-2-methoxyethanimidamide?
The canonical SMILES for 2-ethoxy-2-methoxyethanimidamide is [H]/N=C(\N)C(OC)OCC.
What is the InChIKey of 2-ethoxy-2-methoxyethanimidamide?
The InChIKey is NKPSDMBLGOMWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3-9-5(8-2)4(6)7/h5H,3H2,1-2H3,(H3,6,7).
What are the key properties of 2-ethoxy-2-methoxyethanimidamide?
2-ethoxy-2-methoxyethanimidamide has a molecular weight of 132.16 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methoxyethanimidamide is sourced from PubChem (CID 151212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).