sodium;2,2-diethoxyethanimidamide;chloride

C6H14ClN2NaO2 — CID 122460864

IUPACsodium;2,2-diethoxyethanimidamide;chloride
SMILES[Cl-].[H]/N=C(\N)C(OCC)OCC.[Na+]
InChIInChI=1S/C6H14N2O2.ClH.Na/c1-3-9-6(5(7)8)10-4-2;;/h6H,3-4H2,1-2H3,(H3,7,8);1H;/q;;+1/p-1
InChIKeyDHJUHARENVGPKL-UHFFFAOYSA-M
MW204.63 g/mol
LogP-5.67
Rot. Bonds5

About sodium;2,2-diethoxyethanimidamide;chloride

sodium;2,2-diethoxyethanimidamide;chloride (PubChem CID 122460864) has the molecular formula C6H14ClN2NaO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is sodium;2,2-diethoxyethanimidamide;chloride.

Molecular Properties

Compound Namesodium;2,2-diethoxyethanimidamide;chloride
PubChem CID122460864
Molecular FormulaC6H14ClN2NaO2
Molecular Weight204.63 g/mol
Exact Mass204.06
IUPAC Namesodium;2,2-diethoxyethanimidamide;chloride
SMILES[Cl-].[H]/N=C(\N)C(OCC)OCC.[Na+]
InChIInChI=1S/C6H14N2O2.ClH.Na/c1-3-9-6(5(7)8)10-4-2;;/h6H,3-4H2,1-2H3,(H3,7,8);1H;/q;;+1/p-1
InChIKeyDHJUHARENVGPKL-UHFFFAOYSA-M
XLogP-5.67
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 5-5.67
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 sodium;2,2-diethoxyethanimidamide;chloride?
The IUPAC name of sodium;2,2-diethoxyethanimidamide;chloride (CID 122460864) is sodium;2,2-diethoxyethanimidamide;chloride.
What is the SMILES notation for sodium;2,2-diethoxyethanimidamide;chloride?
The canonical SMILES for sodium;2,2-diethoxyethanimidamide;chloride is [Cl-].[H]/N=C(\N)C(OCC)OCC.[Na+].
What is the InChIKey of sodium;2,2-diethoxyethanimidamide;chloride?
The InChIKey is DHJUHARENVGPKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2.ClH.Na/c1-3-9-6(5(7)8)10-4-2;;/h6H,3-4H2,1-2H3,(H3,7,8);1H;/q;;+1/p-1.
What are the key properties of sodium;2,2-diethoxyethanimidamide;chloride?
sodium;2,2-diethoxyethanimidamide;chloride has a molecular weight of 204.63 g/mol, XLogP of -5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-diethoxyethanimidamide;chloride is sourced from PubChem (CID 122460864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).