5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

C13H20N2O3 — CID 121408698

IUPAC5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(C2CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H20N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyCIFVENPJNRTJIO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.72
Rot. Bonds3

About 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 121408698) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID121408698
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(C2CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H20N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h9H,2-8H2,1H3,(H2,14,15,16,17,18)
InChIKeyCIFVENPJNRTJIO-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-cyclohexyl-5-ethylimidazolidine-2,4-dione
CID 92532345
5-[5-(3-methylcyclohexyl)-2,4,6-trioxo-1,3-diazinan-5-yl]pentanal
CID 57097105
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
sodium 5-cyclopentyl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321551
5-cyclohexyl-5-ethyl-1,3-dioxane-4,6-dione
CID 118947222
(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 67737238
8a-ethyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1,8-dione
CID 586685
1-butyl-1-cycloheptylcycloheptane
CID 140610618
5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
CID 24834128
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 42627656
2-cyclohexyl-2-propylazepane
CID 79119253
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CID 79118759

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (CID 121408698) is 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1(C2CCCCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CIFVENPJNRTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h9H,2-8H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 252.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 121408698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).