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

C16H24N2O3 — CID 115948579

IUPAC1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC(C2CC2)C2CC2)C1=O
InChIInChI=1S/C16H24N2O3/c1-3-16(4-2)13(19)17-15(21)18(14(16)20)9-12(10-5-6-10)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,17,19,21)
InChIKeyYUHVILRIZQVRHA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds6

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

1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948579) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115948579
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC(C2CC2)C2CC2)C1=O
InChIInChI=1S/C16H24N2O3/c1-3-16(4-2)13(19)17-15(21)18(14(16)20)9-12(10-5-6-10)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,17,19,21)
InChIKeyYUHVILRIZQVRHA-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,2-dicyclopropylethyl)-5,5-diethyl-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 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115948579) is 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CC(C2CC2)C2CC2)C1=O.
What is the InChIKey of 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YUHVILRIZQVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-16(4-2)13(19)17-15(21)18(14(16)20)9-12(10-5-6-10)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,17,19,21).
What are the key properties of 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 292.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).