1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane

C15H26N2O3 — CID 67827634

IUPAC1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane
SMILESCCC.CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3.C3H8/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;1-3-2/h8-9H,2-7H2,1H3,(H,13,15,17);3H2,1-2H3
InChIKeyOFPXCGDUZQLNRT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.84
Rot. Bonds2

About 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane

1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane (PubChem CID 67827634) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane.

Molecular Properties

Compound Name1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane
PubChem CID67827634
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane
SMILESCCC.CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H18N2O3.C3H8/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;1-3-2/h8-9H,2-7H2,1H3,(H,13,15,17);3H2,1-2H3
InChIKeyOFPXCGDUZQLNRT-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane?
The IUPAC name of 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane (CID 67827634) is 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane.
What is the SMILES notation for 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane?
The canonical SMILES for 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane is CCC.CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane?
The InChIKey is OFPXCGDUZQLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C3H8/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;1-3-2/h8-9H,2-7H2,1H3,(H,13,15,17);3H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane?
1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane has a molecular weight of 282.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane is sourced from PubChem (CID 67827634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).