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

C13H23N3O3 — CID 112598671

IUPAC1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCN(CC)CC)C1=O
InChIInChI=1S/C13H23N3O3/c1-4-7-10-11(17)14-13(19)16(12(10)18)9-8-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,17,19)
InChIKeyOGHGTDNCTNAQQM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.82
Rot. Bonds7

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

1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 112598671) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID112598671
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCN(CC)CC)C1=O
InChIInChI=1S/C13H23N3O3/c1-4-7-10-11(17)14-13(19)16(12(10)18)9-8-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,17,19)
InChIKeyOGHGTDNCTNAQQM-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione (CID 112598671) is 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(CCN(CC)CC)C1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OGHGTDNCTNAQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-7-10-11(17)14-13(19)16(12(10)18)9-8-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,17,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione?
1-[2-(diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 269.34 g/mol, XLogP of 0.82, 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-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).