5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione

C15H26N2O3 — CID 3050733

IUPAC5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC(CCC(C)C)CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H26N2O3/c1-5-11(8-7-10(3)4)9-15(6-2)12(18)16-14(20)17-13(15)19/h10-11H,5-9H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyFTTYRSOJRKTVTR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds7

About 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione

5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3050733) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
PubChem CID3050733
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC(CCC(C)C)CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H26N2O3/c1-5-11(8-7-10(3)4)9-15(6-2)12(18)16-14(20)17-13(15)19/h10-11H,5-9H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyFTTYRSOJRKTVTR-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione (CID 3050733) is 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione is CCC(CCC(C)C)CC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FTTYRSOJRKTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-11(8-7-10(3)4)9-15(6-2)12(18)16-14(20)17-13(15)19/h10-11H,5-9H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione?
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 282.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3050733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).