2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine

C21H33N3 — CID 71071940

IUPAC2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine
SMILESCCCCC=Cc1nc(C=CCCCC)nc(C=CC(C)CC)n1
InChIInChI=1S/C21H33N3/c1-5-8-10-12-14-19-22-20(15-13-11-9-6-2)24-21(23-19)17-16-18(4)7-3/h12-18H,5-11H2,1-4H3
InChIKeyHVEDDBSQAZOTKK-UHFFFAOYSA-N
MW327.52 g/mol
LogP6.34
Rot. Bonds11

About 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine

2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine (PubChem CID 71071940) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine
PubChem CID71071940
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine
SMILESCCCCC=Cc1nc(C=CCCCC)nc(C=CC(C)CC)n1
InChIInChI=1S/C21H33N3/c1-5-8-10-12-14-19-22-20(15-13-11-9-6-2)24-21(23-19)17-16-18(4)7-3/h12-18H,5-11H2,1-4H3
InChIKeyHVEDDBSQAZOTKK-UHFFFAOYSA-N
XLogP6.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine (CID 71071940) is 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine is CCCCC=Cc1nc(C=CCCCC)nc(C=CC(C)CC)n1.
What is the InChIKey of 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine?
The InChIKey is HVEDDBSQAZOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-5-8-10-12-14-19-22-20(15-13-11-9-6-2)24-21(23-19)17-16-18(4)7-3/h12-18H,5-11H2,1-4H3.
What are the key properties of 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine?
2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine has a molecular weight of 327.52 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hex-1-enyl)-6-(3-methylpent-1-enyl)-1,3,5-triazine is sourced from PubChem (CID 71071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).