4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine

C23H46N6 — CID 10982393

IUPAC4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCCCCCCCNc1nc(NC)nc(NC)n1
InChIInChI=1S/C23H46N6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-28-21(24-2)27-22(25-3)29-23/h4-20H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyHYDFCEWVJXEPAU-UHFFFAOYSA-N
MW406.66 g/mol
LogP6.63
Rot. Bonds20

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

4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 10982393) has the molecular formula C23H46N6 and a molecular weight of 406.66 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
PubChem CID10982393
Molecular FormulaC23H46N6
Molecular Weight406.66 g/mol
Exact Mass406.38
IUPAC Name4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCCCCCCCCCNc1nc(NC)nc(NC)n1
InChIInChI=1S/C23H46N6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-28-21(24-2)27-22(25-3)29-23/h4-20H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyHYDFCEWVJXEPAU-UHFFFAOYSA-N
XLogP6.63
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 56.63
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 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine (CID 10982393) is 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCCCCCCCCCNc1nc(NC)nc(NC)n1.
What is the InChIKey of 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HYDFCEWVJXEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23-28-21(24-2)27-22(25-3)29-23/h4-20H2,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 406.66 g/mol, XLogP of 6.63, 20 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10982393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).