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

C16H26N2O3 — CID 115947509

IUPAC5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C(CC)(CC)C2=O)CC1
InChIInChI=1S/C16H26N2O3/c1-4-11-7-9-12(10-8-11)18-14(20)16(5-2,6-3)13(19)17-15(18)21/h11-12H,4-10H2,1-3H3,(H,17,19,21)
InChIKeyAAKHJYIYYLTCGS-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.84
Rot. Bonds4

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

5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115947509) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID115947509
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1CCC(N2C(=O)NC(=O)C(CC)(CC)C2=O)CC1
InChIInChI=1S/C16H26N2O3/c1-4-11-7-9-12(10-8-11)18-14(20)16(5-2,6-3)13(19)17-15(18)21/h11-12H,4-10H2,1-3H3,(H,17,19,21)
InChIKeyAAKHJYIYYLTCGS-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.84
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-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
1-(4-ethylcyclohexyl)imidazolidine-2,4,5-trione
CID 61469917
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945906
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
1-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
CID 115947078
5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 106006095
6-(4-ethylcyclohexyl)-13-[4-(trifluoromethyl)cyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469720

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione (CID 115947509) is 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione is CCC1CCC(N2C(=O)NC(=O)C(CC)(CC)C2=O)CC1.
What is the InChIKey of 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is AAKHJYIYYLTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-11-7-9-12(10-8-11)18-14(20)16(5-2,6-3)13(19)17-15(18)21/h11-12H,4-10H2,1-3H3,(H,17,19,21).
What are the key properties of 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 294.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).