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

C15H24N2O3 — CID 13300

IUPAC1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-7-10(2)12-13(18)16-15(20)17(14(12)19)11-8-5-4-6-9-11/h10-12H,3-9H2,1-2H3,(H,16,18,20)
InChIKeySVBFSOPFECVQKR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.45
Rot. Bonds4

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

1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 13300) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID13300
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-7-10(2)12-13(18)16-15(20)17(14(12)19)11-8-5-4-6-9-11/h10-12H,3-9H2,1-2H3,(H,16,18,20)
InChIKeySVBFSOPFECVQKR-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.45
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 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione (CID 13300) is 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione is CCCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is SVBFSOPFECVQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-7-10(2)12-13(18)16-15(20)17(14(12)19)11-8-5-4-6-9-11/h10-12H,3-9H2,1-2H3,(H,16,18,20).
What are the key properties of 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).