2,2-dimethoxyethanimidamide

C4H10N2O2 — CID 91755978

IUPAC2,2-dimethoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)OC
InChIInChI=1S/C4H10N2O2/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H3,5,6)
InChIKeyGEFAWXQACXMZBX-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.46
Rot. Bonds3

About 2,2-dimethoxyethanimidamide

2,2-dimethoxyethanimidamide (PubChem CID 91755978) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2,2-dimethoxyethanimidamide.

Molecular Properties

Compound Name2,2-dimethoxyethanimidamide
PubChem CID91755978
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2,2-dimethoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)OC
InChIInChI=1S/C4H10N2O2/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H3,5,6)
InChIKeyGEFAWXQACXMZBX-UHFFFAOYSA-N
XLogP-0.46
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.46
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 2,2-dimethoxyethanimidamide?
The IUPAC name of 2,2-dimethoxyethanimidamide (CID 91755978) is 2,2-dimethoxyethanimidamide.
What is the SMILES notation for 2,2-dimethoxyethanimidamide?
The canonical SMILES for 2,2-dimethoxyethanimidamide is [H]/N=C(\N)C(OC)OC.
What is the InChIKey of 2,2-dimethoxyethanimidamide?
The InChIKey is GEFAWXQACXMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H3,5,6).
What are the key properties of 2,2-dimethoxyethanimidamide?
2,2-dimethoxyethanimidamide has a molecular weight of 118.14 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanimidamide is sourced from PubChem (CID 91755978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).