2-ethyl-N,N'-dimethylpropanediamide

C7H14N2O2 — CID 58962210

IUPAC2-ethyl-N,N'-dimethylpropanediamide
SMILESCCC(C(=O)NC)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-5(6(10)8-2)7(11)9-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyPEEBKGXBVLBWOD-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.50
Rot. Bonds3

About 2-ethyl-N,N'-dimethylpropanediamide

2-ethyl-N,N'-dimethylpropanediamide (PubChem CID 58962210) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethylpropanediamide.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethylpropanediamide
PubChem CID58962210
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-ethyl-N,N'-dimethylpropanediamide
SMILESCCC(C(=O)NC)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-5(6(10)8-2)7(11)9-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyPEEBKGXBVLBWOD-UHFFFAOYSA-N
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.50
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-ethyl-N,N'-dimethylpropanediamide?
The IUPAC name of 2-ethyl-N,N'-dimethylpropanediamide (CID 58962210) is 2-ethyl-N,N'-dimethylpropanediamide.
What is the SMILES notation for 2-ethyl-N,N'-dimethylpropanediamide?
The canonical SMILES for 2-ethyl-N,N'-dimethylpropanediamide is CCC(C(=O)NC)C(=O)NC.
What is the InChIKey of 2-ethyl-N,N'-dimethylpropanediamide?
The InChIKey is PEEBKGXBVLBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-5(6(10)8-2)7(11)9-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11).
What are the key properties of 2-ethyl-N,N'-dimethylpropanediamide?
2-ethyl-N,N'-dimethylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethylpropanediamide is sourced from PubChem (CID 58962210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).