1,3-didecyl-1,3-diazinane

C24H50N2 — CID 20503496

IUPAC1,3-didecyl-1,3-diazinane
SMILESCCCCCCCCCCN1CCCN(CCCCCCCCCC)C1
InChIInChI=1S/C24H50N2/c1-3-5-7-9-11-13-15-17-20-25-22-19-23-26(24-25)21-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyZWVFEZWQLCHIIG-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.23
Rot. Bonds18

About 1,3-didecyl-1,3-diazinane

1,3-didecyl-1,3-diazinane (PubChem CID 20503496) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 1,3-didecyl-1,3-diazinane.

Molecular Properties

Compound Name1,3-didecyl-1,3-diazinane
PubChem CID20503496
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name1,3-didecyl-1,3-diazinane
SMILESCCCCCCCCCCN1CCCN(CCCCCCCCCC)C1
InChIInChI=1S/C24H50N2/c1-3-5-7-9-11-13-15-17-20-25-22-19-23-26(24-25)21-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyZWVFEZWQLCHIIG-UHFFFAOYSA-N
XLogP7.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.23
H-Bond Donors ≤ 50
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 1,3-didecyl-1,3-diazinane?
The IUPAC name of 1,3-didecyl-1,3-diazinane (CID 20503496) is 1,3-didecyl-1,3-diazinane.
What is the SMILES notation for 1,3-didecyl-1,3-diazinane?
The canonical SMILES for 1,3-didecyl-1,3-diazinane is CCCCCCCCCCN1CCCN(CCCCCCCCCC)C1.
What is the InChIKey of 1,3-didecyl-1,3-diazinane?
The InChIKey is ZWVFEZWQLCHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-3-5-7-9-11-13-15-17-20-25-22-19-23-26(24-25)21-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1,3-didecyl-1,3-diazinane?
1,3-didecyl-1,3-diazinane has a molecular weight of 366.68 g/mol, XLogP of 7.23, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didecyl-1,3-diazinane is sourced from PubChem (CID 20503496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).