2,2-diethoxyethanimidamide;hydrochloride

C6H15ClN2O2 — CID 13136495

IUPAC2,2-diethoxyethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(OCC)OCC
InChIInChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyBKCPVXSSIONVRZ-UHFFFAOYSA-N
MW182.65 g/mol
LogP0.74
Rot. Bonds5

About 2,2-diethoxyethanimidamide;hydrochloride

2,2-diethoxyethanimidamide;hydrochloride (PubChem CID 13136495) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2,2-diethoxyethanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2-diethoxyethanimidamide;hydrochloride
PubChem CID13136495
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name2,2-diethoxyethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(OCC)OCC
InChIInChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyBKCPVXSSIONVRZ-UHFFFAOYSA-N
XLogP0.74
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.74
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'}

Analyze 2,2-diethoxyethanimidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethanimidamide;hydrochloride?
The IUPAC name of 2,2-diethoxyethanimidamide;hydrochloride (CID 13136495) is 2,2-diethoxyethanimidamide;hydrochloride.
What is the SMILES notation for 2,2-diethoxyethanimidamide;hydrochloride?
The canonical SMILES for 2,2-diethoxyethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(OCC)OCC.
What is the InChIKey of 2,2-diethoxyethanimidamide;hydrochloride?
The InChIKey is BKCPVXSSIONVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H.
What are the key properties of 2,2-diethoxyethanimidamide;hydrochloride?
2,2-diethoxyethanimidamide;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethanimidamide;hydrochloride is sourced from PubChem (CID 13136495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).