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

C13H20N2O3 — CID 13285

IUPAC1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyAXXCGIMLMVLZKI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.67
Rot. Bonds2

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

1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 13285) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID13285
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16,18)
InChIKeyAXXCGIMLMVLZKI-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.67
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-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 13285) is 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is AXXCGIMLMVLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16,18).
What are the key properties of 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 252.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).