5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione

C15H27N3O3 — CID 106040573

IUPAC5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCCN(C)C(C)C)C1=O
InChIInChI=1S/C15H27N3O3/c1-6-15(7-2)12(19)16-14(21)18(13(15)20)10-8-9-17(5)11(3)4/h11H,6-10H2,1-5H3,(H,16,19,21)
InChIKeyIGJGYFCEXNZUMJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.60
Rot. Bonds7

About 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione (PubChem CID 106040573) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione
PubChem CID106040573
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCCN(C)C(C)C)C1=O
InChIInChI=1S/C15H27N3O3/c1-6-15(7-2)12(19)16-14(21)18(13(15)20)10-8-9-17(5)11(3)4/h11H,6-10H2,1-5H3,(H,16,19,21)
InChIKeyIGJGYFCEXNZUMJ-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-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 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione (CID 106040573) is 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CCCN(C)C(C)C)C1=O.
What is the InChIKey of 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is IGJGYFCEXNZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-6-15(7-2)12(19)16-14(21)18(13(15)20)10-8-9-17(5)11(3)4/h11H,6-10H2,1-5H3,(H,16,19,21).
What are the key properties of 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 297.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106040573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).