5,5-dihexyl-1,3-diazinane-2,4,6-trione

C16H28N2O3 — CID 15536734

IUPAC5,5-dihexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCC1(CCCCCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-7-9-11-16(12-10-8-6-4-2)13(19)17-15(21)18-14(16)20/h3-12H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZSCJUZCCOHTBPF-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds10

About 5,5-dihexyl-1,3-diazinane-2,4,6-trione

5,5-dihexyl-1,3-diazinane-2,4,6-trione (PubChem CID 15536734) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5,5-dihexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dihexyl-1,3-diazinane-2,4,6-trione
PubChem CID15536734
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5,5-dihexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCC1(CCCCCC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C16H28N2O3/c1-3-5-7-9-11-16(12-10-8-6-4-2)13(19)17-15(21)18-14(16)20/h3-12H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZSCJUZCCOHTBPF-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033572
5-hexyl-5-hydroxyimidazolidine-2,4-dione
CID 70494032
5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
CID 3032767
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 19911803
5-(butylsulfanylmethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 23622371
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide
CID 57236706
5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 24834094
9,9-didodecyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 122386122
5-(3-fluoropropyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 89447709

Frequently Asked Questions

What is the IUPAC name of 5,5-dihexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dihexyl-1,3-diazinane-2,4,6-trione (CID 15536734) is 5,5-dihexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dihexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dihexyl-1,3-diazinane-2,4,6-trione is CCCCCCC1(CCCCCC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5,5-dihexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZSCJUZCCOHTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-5-7-9-11-16(12-10-8-6-4-2)13(19)17-15(21)18-14(16)20/h3-12H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 5,5-dihexyl-1,3-diazinane-2,4,6-trione?
5,5-dihexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 296.41 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 15536734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).