1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

C18H29N3O3 — CID 7461038

IUPAC1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C(\C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-3-4-5-9-12-19-13(2)15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h14-15H,3-12H2,1-2H3,(H,20,22,24)/b19-13+
InChIKeyOQDLLTDHJSEORP-CPNJWEJPSA-N
MW335.45 g/mol
LogP3.05
Rot. Bonds7

About 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7461038) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
PubChem CID7461038
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C(\C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-3-4-5-9-12-19-13(2)15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h14-15H,3-12H2,1-2H3,(H,20,22,24)/b19-13+
InChIKeyOQDLLTDHJSEORP-CPNJWEJPSA-N
XLogP3.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (CID 7461038) is 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is CCCCCC/N=C(\C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is OQDLLTDHJSEORP-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-4-5-9-12-19-13(2)15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h14-15H,3-12H2,1-2H3,(H,20,22,24)/b19-13+.
What are the key properties of 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 335.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).