5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione

C14H24N2O3 — CID 106329286

IUPAC5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(C)(CC)CC)C1=O
InChIInChI=1S/C14H24N2O3/c1-6-13(5,7-2)16-11(18)14(8-3,9-4)10(17)15-12(16)19/h6-9H2,1-5H3,(H,15,17,19)
InChIKeyOGLXFMJGFBRNFY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds5

About 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 106329286) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID106329286
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(C)(CC)CC)C1=O
InChIInChI=1S/C14H24N2O3/c1-6-13(5,7-2)16-11(18)14(8-3,9-4)10(17)15-12(16)19/h6-9H2,1-5H3,(H,15,17,19)
InChIKeyOGLXFMJGFBRNFY-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948672
1-butan-2-yl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 604008
1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 17019932
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione
CID 112600385
1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 112599989
1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945944
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
CID 115946633
1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945911

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione (CID 106329286) is 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C(C)(CC)CC)C1=O.
What is the InChIKey of 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is OGLXFMJGFBRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-13(5,7-2)16-11(18)14(8-3,9-4)10(17)15-12(16)19/h6-9H2,1-5H3,(H,15,17,19).
What are the key properties of 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 268.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106329286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).