1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione

C14H25N3O3 — CID 17019932

IUPAC1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H25N3O3/c1-5-14(6-2)11(18)15-13(20)17(12(14)19)10-9-16(7-3)8-4/h5-10H2,1-4H3,(H,15,18,20)
InChIKeyDGIKLDLACPRKIR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.21
Rot. Bonds7

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

1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 17019932) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID17019932
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C14H25N3O3/c1-5-14(6-2)11(18)15-13(20)17(12(14)19)10-9-16(7-3)8-4/h5-10H2,1-4H3,(H,15,18,20)
InChIKeyDGIKLDLACPRKIR-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.21
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-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 17019932) is 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCN(CC)CCN1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DGIKLDLACPRKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-14(6-2)11(18)15-13(20)17(12(14)19)10-9-16(7-3)8-4/h5-10H2,1-4H3,(H,15,18,20).
What are the key properties of 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 283.37 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 17019932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).