1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione

C16H26N2O3 — CID 20162

IUPAC1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h12-13H,2-11H2,1H3,(H,17,19,21)
InChIKeyMSNOVYXXOZYRDG-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.98
Rot. Bonds6

About 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione (PubChem CID 20162) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione
PubChem CID20162
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h12-13H,2-11H2,1H3,(H,17,19,21)
InChIKeyMSNOVYXXOZYRDG-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione (CID 20162) is 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione is CCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MSNOVYXXOZYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h12-13H,2-11H2,1H3,(H,17,19,21).
What are the key properties of 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).