5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione

C16H24N2O3 — CID 104963571

IUPAC5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CCC(N2C(=O)NC(=O)C(C3CCCC3)C2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-10-6-8-12(9-7-10)18-15(20)13(11-4-2-3-5-11)14(19)17-16(18)21/h10-13H,2-9H2,1H3,(H,17,19,21)
InChIKeyGIISUAGZTSYPKS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds2

About 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 104963571) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID104963571
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CCC(N2C(=O)NC(=O)C(C3CCCC3)C2=O)CC1
InChIInChI=1S/C16H24N2O3/c1-10-6-8-12(9-7-10)18-15(20)13(11-4-2-3-5-11)14(19)17-16(18)21/h10-13H,2-9H2,1H3,(H,17,19,21)
InChIKeyGIISUAGZTSYPKS-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
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

1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 104830815
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
(5S)-3-cyclopentyl-5-methylimidazolidine-2,4-dione
CID 131182792
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
6-cyclopentyl-13-(4-methylcyclohexyl)-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 59469708
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione (CID 104963571) is 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione is CC1CCC(N2C(=O)NC(=O)C(C3CCCC3)C2=O)CC1.
What is the InChIKey of 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GIISUAGZTSYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-6-8-12(9-7-10)18-15(20)13(11-4-2-3-5-11)14(19)17-16(18)21/h10-13H,2-9H2,1H3,(H,17,19,21).
What are the key properties of 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 292.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 104963571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).