1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione

C15H24N2O3 — CID 115948158

IUPAC1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCC(C)CC2C)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-5-11-13(18)16-15(20)17(14(11)19)12-7-6-9(2)8-10(12)3/h9-12H,4-8H2,1-3H3,(H,16,18,20)
InChIKeyXCKTUUGTPDUGHA-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.31
Rot. Bonds3

About 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948158) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115948158
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCC(C)CC2C)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-5-11-13(18)16-15(20)17(14(11)19)12-7-6-9(2)8-10(12)3/h9-12H,4-8H2,1-3H3,(H,16,18,20)
InChIKeyXCKTUUGTPDUGHA-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.31
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-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115948158) is 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C2CCC(C)CC2C)C1=O.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XCKTUUGTPDUGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-11-13(18)16-15(20)17(14(11)19)12-7-6-9(2)8-10(12)3/h9-12H,4-8H2,1-3H3,(H,16,18,20).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).