5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione

C14H24N2O3 — CID 112600385

IUPAC5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(CC)N1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H24N2O3/c1-5-9-10(6-2)16-12(18)14(7-3,8-4)11(17)15-13(16)19/h10H,5-9H2,1-4H3,(H,15,17,19)
InChIKeyGEDRFZXRYWFCFQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds6

About 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112600385) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione
PubChem CID112600385
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(CC)N1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H24N2O3/c1-5-9-10(6-2)16-12(18)14(7-3,8-4)11(17)15-13(16)19/h10H,5-9H2,1-4H3,(H,15,17,19)
InChIKeyGEDRFZXRYWFCFQ-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-butan-2-yl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 604008
methyl 2-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-3-methylbutanoate
CID 115947468
1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 112599989
2,5-diethyl-3-hexan-3-yl-5-methylimidazolidin-4-one
CID 83252694
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-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600692
1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945944
5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
CID 106329286
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115947705
5,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 106006297

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione (CID 112600385) is 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione is CCCC(CC)N1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is GEDRFZXRYWFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-9-10(6-2)16-12(18)14(7-3,8-4)11(17)15-13(16)19/h10H,5-9H2,1-4H3,(H,15,17,19).
What are the key properties of 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 268.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112600385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).