1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione

C17H26N2O3 — CID 12922

IUPAC1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyILCHAUPJKKIXPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.08
Rot. Bonds2

About 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 12922) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
PubChem CID12922
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyILCHAUPJKKIXPX-UHFFFAOYSA-N
XLogP3.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
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 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione (CID 12922) is 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione is CC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ILCHAUPJKKIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 306.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).