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

C11H17N3O3 — CID 7029530

IUPAC5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-7-8-9(15)13-11(17)14-10(8)16/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)/b12-7+
InChIKeyUYUHXEGXYHKNSZ-KPKJPENVSA-N
MW239.27 g/mol
LogP0.62
Rot. Bonds6

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

5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7029530) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7029530
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-7-8-9(15)13-11(17)14-10(8)16/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)/b12-7+
InChIKeyUYUHXEGXYHKNSZ-KPKJPENVSA-N
XLogP0.62
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
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 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7029530) is 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione is CCCCCC/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UYUHXEGXYHKNSZ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-7-8-9(15)13-11(17)14-10(8)16/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)/b12-7+.
What are the key properties of 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 239.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7029530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).