1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione

C16H28N2O3 — CID 15439160

IUPAC1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)N(CCCC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-9-11-17-13(19)16(7-3,8-4)14(20)18(15(17)21)12-10-6-2/h5-12H2,1-4H3
InChIKeyLWQHYRGKDABXIQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.18
Rot. Bonds8

About 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione

1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 15439160) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID15439160
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)N(CCCC)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-9-11-17-13(19)16(7-3,8-4)14(20)18(15(17)21)12-10-6-2/h5-12H2,1-4H3
InChIKeyLWQHYRGKDABXIQ-UHFFFAOYSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 15439160) is 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCCCN1C(=O)N(CCCC)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LWQHYRGKDABXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-9-11-17-13(19)16(7-3,8-4)14(20)18(15(17)21)12-10-6-2/h5-12H2,1-4H3.
What are the key properties of 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 296.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 15439160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).