6-hexyl-1,3-diazinane-2,4-dione

C10H18N2O2 — CID 2832737

IUPAC6-hexyl-1,3-diazinane-2,4-dione
SMILESCCCCCCC1CC(=O)NC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-2-3-4-5-6-8-7-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDLIWSMITPYTIOP-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.55
Rot. Bonds5

About 6-hexyl-1,3-diazinane-2,4-dione

6-hexyl-1,3-diazinane-2,4-dione (PubChem CID 2832737) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-hexyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-hexyl-1,3-diazinane-2,4-dione
PubChem CID2832737
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-hexyl-1,3-diazinane-2,4-dione
SMILESCCCCCCC1CC(=O)NC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-2-3-4-5-6-8-7-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDLIWSMITPYTIOP-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hexyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-hexyl-1,3-diazinane-2,4-dione (CID 2832737) is 6-hexyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-hexyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-hexyl-1,3-diazinane-2,4-dione is CCCCCCC1CC(=O)NC(=O)N1.
What is the InChIKey of 6-hexyl-1,3-diazinane-2,4-dione?
The InChIKey is DLIWSMITPYTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-4-5-6-8-7-9(13)12-10(14)11-8/h8H,2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-hexyl-1,3-diazinane-2,4-dione?
6-hexyl-1,3-diazinane-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).