1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione

C13H24N2O2 — CID 11971394

IUPAC1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione
SMILESCCN1CCN(CC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2)11(16)14(7-3)9-10-15(8-4)12(13)17/h5-10H2,1-4H3
InChIKeyGUWVRBXMSQGRDU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds4

About 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione

1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione (PubChem CID 11971394) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione.

Molecular Properties

Compound Name1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione
PubChem CID11971394
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione
SMILESCCN1CCN(CC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2)11(16)14(7-3)9-10-15(8-4)12(13)17/h5-10H2,1-4H3
InChIKeyGUWVRBXMSQGRDU-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-1,4-Diazepine-5,7(2H,6H)-dione, dihydro-6,6-diethyl-
CID 281607
1H-1,4-Diazepine-5,7(4H,6H)-dione, 2,3-dihydro-6,6-diethyl-1,4-dimethyl-
CID 11971385
1H-1,4-Diazepine-5,7(4H,6H)-dione, 2,3-dihydro-1,4-bis(2-(diethylamino)ethyl)-6,6-diethyl-
CID 11971386
1,4-Bis(2-ethylbutanoyl)-1,4-diazepane
CID 5007490
3,3-Dimethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 17164421
2-(Aminomethyl)-2-ethyl-1-(4-propanoyl-1,4-diazepan-1-yl)butan-1-one
CID 91659886
6,6-Diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione
CID 547359
1-(4,4-Dimethylpentyl)-4-methyl-1,4-diazepan-5-one
CID 57979606
1-(1,4-Diazepan-1-yl)-2-ethyl-2-methylbutan-1-one
CID 70849642
N',N',2,2-tetraethylpropanediamide
CID 88306853
1-(3,3-Dimethylbutyl)-4-methyl-1,4-diazepan-5-one
CID 90140973
1-(4-Acetyl-1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 91313143

Frequently Asked Questions

What is the IUPAC name of 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione?
The IUPAC name of 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione (CID 11971394) is 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione.
What is the SMILES notation for 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione?
The canonical SMILES for 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione is CCN1CCN(CC)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione?
The InChIKey is GUWVRBXMSQGRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(6-2)11(16)14(7-3)9-10-15(8-4)12(13)17/h5-10H2,1-4H3.
What are the key properties of 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione?
1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione has a molecular weight of 240.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione is sourced from PubChem (CID 11971394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).