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

C11H19N3O3 — CID 112598773

IUPAC1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-4-5-8-9(15)12-11(17)14(10(8)16)7-6-13(2)3/h8H,4-7H2,1-3H3,(H,12,15,17)
InChIKeyXNHYECLIGPSAPU-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.04
Rot. Bonds5

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

1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 112598773) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID112598773
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-4-5-8-9(15)12-11(17)14(10(8)16)7-6-13(2)3/h8H,4-7H2,1-3H3,(H,12,15,17)
InChIKeyXNHYECLIGPSAPU-UHFFFAOYSA-N
XLogP0.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione (CID 112598773) is 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(CCN(C)C)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XNHYECLIGPSAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-5-8-9(15)12-11(17)14(10(8)16)7-6-13(2)3/h8H,4-7H2,1-3H3,(H,12,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 241.29 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).