1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione

C13H23N3O3 — CID 112599989

IUPAC1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC(C)N(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-6-13(7-2)10(17)14-12(19)16(11(13)18)8-9(3)15(4)5/h9H,6-8H2,1-5H3,(H,14,17,19)
InChIKeySWWKQXVTIOSWSP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 112599989) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID112599989
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC(C)N(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-6-13(7-2)10(17)14-12(19)16(11(13)18)8-9(3)15(4)5/h9H,6-8H2,1-5H3,(H,14,17,19)
InChIKeySWWKQXVTIOSWSP-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)propyl]-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

Related Compounds

1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
5,5-diethyl-1-[3-[methyl(propan-2-yl)amino]propyl]-1,3-diazinane-2,4,6-trione
CID 106040573
1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 17019932
1-butan-2-yl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 604008
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945911
1-(6-chlorohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 13177933
5,5-diethyl-1-(2-methyl-2-methylsulfonylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948672
3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
CID 115947318
3-[2-(dimethylamino)propyl]-2,5-diethyl-5-methylimidazolidin-4-one
CID 83250197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 112599989) is 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CC(C)N(C)C)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SWWKQXVTIOSWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-6-13(7-2)10(17)14-12(19)16(11(13)18)8-9(3)15(4)5/h9H,6-8H2,1-5H3,(H,14,17,19).
What are the key properties of 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 269.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).