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

C16H26N2O3 — CID 115945906

IUPAC1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-9-7-8-10(3)11(12)4/h10-12H,5-9H2,1-4H3,(H,17,19,21)
InChIKeyUHTXJAAOSXWJRU-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.70
Rot. Bonds3

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

1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115945906) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115945906
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-9-7-8-10(3)11(12)4/h10-12H,5-9H2,1-4H3,(H,17,19,21)
InChIKeyUHTXJAAOSXWJRU-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.70
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
5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 115947509
5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
CID 115947078
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
9-(3-ethyl-2-methylcyclopentyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948459
8-(2-methylcyclohexyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598608
1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64959115
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
13-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-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 124818032
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64959223

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115945906) is 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C2CCCC(C)C2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UHTXJAAOSXWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-9-7-8-10(3)11(12)4/h10-12H,5-9H2,1-4H3,(H,17,19,21).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).