5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

C14H22N2O3 — CID 13294

IUPAC5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-9(2)11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyIIZVQKTYLZFJCU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds3

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

5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 13294) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID13294
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-9(2)11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyIIZVQKTYLZFJCU-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione (CID 13294) is 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione is CCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IIZVQKTYLZFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9(2)11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,15,17,19).
What are the key properties of 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 266.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).