1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione

C15H24N2O3 — CID 115946696

IUPAC1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyLUENOTTZHNCQCU-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds3

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

1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115946696) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115946696
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyLUENOTTZHNCQCU-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
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-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 115947509
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945906
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione
CID 3044070
3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 113308801
5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
CID 115947078
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 106006095
3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
CID 83243038
1-cyclohexyl-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82936542
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
1-cyclopentyl-6-ethyl-3,3,6-trimethylpiperazine-2,5-dione
CID 82936461

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115946696) is 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LUENOTTZHNCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,16,18,20).
What are the key properties of 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).