2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide

C7H16N2O3 — CID 104562468

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide
SMILES[H]/N=C(\N)COCCOCCOC
InChIInChI=1S/C7H16N2O3/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyNAODHMWEVAHJOT-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.40
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide

2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide (PubChem CID 104562468) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide
PubChem CID104562468
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide
SMILES[H]/N=C(\N)COCCOCCOC
InChIInChI=1S/C7H16N2O3/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyNAODHMWEVAHJOT-UHFFFAOYSA-N
XLogP-0.40
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide (CID 104562468) is 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide is [H]/N=C(\N)COCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide?
The InChIKey is NAODHMWEVAHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H3,8,9).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide?
2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide has a molecular weight of 176.22 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethanimidamide is sourced from PubChem (CID 104562468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).