2,2-diethylpropanediamide;dihydrochloride

C7H16Cl2N2O2 — CID 71431064

IUPAC2,2-diethylpropanediamide;dihydrochloride
SMILESCCC(CC)(C(N)=O)C(N)=O.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-3-7(4-2,5(8)10)6(9)11;;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);2*1H
InChIKeyGIBOBXGZCXLSAB-UHFFFAOYSA-N
MW231.12 g/mol
LogP0.61
Rot. Bonds4

About 2,2-diethylpropanediamide;dihydrochloride

2,2-diethylpropanediamide;dihydrochloride (PubChem CID 71431064) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 2,2-diethylpropanediamide;dihydrochloride.

Molecular Properties

Compound Name2,2-diethylpropanediamide;dihydrochloride
PubChem CID71431064
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Name2,2-diethylpropanediamide;dihydrochloride
SMILESCCC(CC)(C(N)=O)C(N)=O.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-3-7(4-2,5(8)10)6(9)11;;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);2*1H
InChIKeyGIBOBXGZCXLSAB-UHFFFAOYSA-N
XLogP0.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethylpropanediamide;dihydrochloride?
The IUPAC name of 2,2-diethylpropanediamide;dihydrochloride (CID 71431064) is 2,2-diethylpropanediamide;dihydrochloride.
What is the SMILES notation for 2,2-diethylpropanediamide;dihydrochloride?
The canonical SMILES for 2,2-diethylpropanediamide;dihydrochloride is CCC(CC)(C(N)=O)C(N)=O.Cl.Cl.
What is the InChIKey of 2,2-diethylpropanediamide;dihydrochloride?
The InChIKey is GIBOBXGZCXLSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-3-7(4-2,5(8)10)6(9)11;;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);2*1H.
What are the key properties of 2,2-diethylpropanediamide;dihydrochloride?
2,2-diethylpropanediamide;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylpropanediamide;dihydrochloride is sourced from PubChem (CID 71431064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).