2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine

C23H46N6 — CID 68586329

IUPAC2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCC)n1
InChIInChI=1S/C23H46N6/c1-3-5-7-9-11-13-15-17-19-25-22-27-21(24)28-23(29-22)26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H4,24,25,26,27,28,29)
InChIKeyGCPLQKXGZFIDOV-UHFFFAOYSA-N
MW406.66 g/mol
LogP6.56
Rot. Bonds20

About 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 68586329) has the molecular formula C23H46N6 and a molecular weight of 406.66 g/mol. Its IUPAC name is 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
PubChem CID68586329
Molecular FormulaC23H46N6
Molecular Weight406.66 g/mol
Exact Mass406.38
IUPAC Name2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCC)n1
InChIInChI=1S/C23H46N6/c1-3-5-7-9-11-13-15-17-19-25-22-27-21(24)28-23(29-22)26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H4,24,25,26,27,28,29)
InChIKeyGCPLQKXGZFIDOV-UHFFFAOYSA-N
XLogP6.56
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine (CID 68586329) is 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCNc1nc(N)nc(NCCCCCCCCCC)n1.
What is the InChIKey of 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GCPLQKXGZFIDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6/c1-3-5-7-9-11-13-15-17-19-25-22-27-21(24)28-23(29-22)26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H4,24,25,26,27,28,29).
What are the key properties of 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 406.66 g/mol, XLogP of 6.56, 20 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 68586329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).