4,6-didodecyl-1,3,5-triazin-2-amine

C27H52N4 — CID 15255084

IUPAC4,6-didodecyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCCCc1nc(N)nc(CCCCCCCCCCCC)n1
InChIInChI=1S/C27H52N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-26(31-27(28)30-25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,28,29,30,31)
InChIKeyLENVURWDRKNRIZ-UHFFFAOYSA-N
MW432.74 g/mol
LogP8.38
Rot. Bonds22

About 4,6-didodecyl-1,3,5-triazin-2-amine

4,6-didodecyl-1,3,5-triazin-2-amine (PubChem CID 15255084) has the molecular formula C27H52N4 and a molecular weight of 432.74 g/mol. Its IUPAC name is 4,6-didodecyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-didodecyl-1,3,5-triazin-2-amine
PubChem CID15255084
Molecular FormulaC27H52N4
Molecular Weight432.74 g/mol
Exact Mass432.42
IUPAC Name4,6-didodecyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCCCCCc1nc(N)nc(CCCCCCCCCCCC)n1
InChIInChI=1S/C27H52N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-26(31-27(28)30-25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,28,29,30,31)
InChIKeyLENVURWDRKNRIZ-UHFFFAOYSA-N
XLogP8.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,6-didodecyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-didodecyl-1,3,5-triazin-2-amine (CID 15255084) is 4,6-didodecyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-didodecyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-didodecyl-1,3,5-triazin-2-amine is CCCCCCCCCCCCc1nc(N)nc(CCCCCCCCCCCC)n1.
What is the InChIKey of 4,6-didodecyl-1,3,5-triazin-2-amine?
The InChIKey is LENVURWDRKNRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-26(31-27(28)30-25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H2,28,29,30,31).
What are the key properties of 4,6-didodecyl-1,3,5-triazin-2-amine?
4,6-didodecyl-1,3,5-triazin-2-amine has a molecular weight of 432.74 g/mol, XLogP of 8.38, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-didodecyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 15255084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).