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

C15H27N3O3 — CID 115945911

IUPAC1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2)12(19)16-14(21)18(13(15)20)11-9-10-17(7-3)8-4/h5-11H2,1-4H3,(H,16,19,21)
InChIKeyWWXDCCNAXDFTGH-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.60
Rot. Bonds8

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

1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115945911) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115945911
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2)12(19)16-14(21)18(13(15)20)11-9-10-17(7-3)8-4/h5-11H2,1-4H3,(H,16,19,21)
InChIKeyWWXDCCNAXDFTGH-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115945911) is 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCN(CC)CCCN1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WWXDCCNAXDFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-15(6-2)12(19)16-14(21)18(13(15)20)11-9-10-17(7-3)8-4/h5-11H2,1-4H3,(H,16,19,21).
What are the key properties of 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 297.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).