1-decyl-1,3-diazinane-2,4-dione

C14H26N2O2 — CID 77019056

IUPAC1-decyl-1,3-diazinane-2,4-dione
SMILESCCCCCCCCCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-13(17)15-14(16)18/h2-12H2,1H3,(H,15,17,18)
InChIKeyQWJOZKBRRHISPL-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.07
Rot. Bonds9

About 1-decyl-1,3-diazinane-2,4-dione

1-decyl-1,3-diazinane-2,4-dione (PubChem CID 77019056) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-decyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-decyl-1,3-diazinane-2,4-dione
PubChem CID77019056
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-decyl-1,3-diazinane-2,4-dione
SMILESCCCCCCCCCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-13(17)15-14(16)18/h2-12H2,1H3,(H,15,17,18)
InChIKeyQWJOZKBRRHISPL-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
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 1-decyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-decyl-1,3-diazinane-2,4-dione (CID 77019056) is 1-decyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-decyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-decyl-1,3-diazinane-2,4-dione is CCCCCCCCCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-decyl-1,3-diazinane-2,4-dione?
The InChIKey is QWJOZKBRRHISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-13(17)15-14(16)18/h2-12H2,1H3,(H,15,17,18).
What are the key properties of 1-decyl-1,3-diazinane-2,4-dione?
1-decyl-1,3-diazinane-2,4-dione has a molecular weight of 254.37 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77019056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).