2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol

C22H46N6O10 — CID 6455734

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol (PubChem CID 6455734) has the molecular formula C22H46N6O10 and a molecular weight of 554.64 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol
• PubChem CID: 6455734
• Molecular Formula: C22H46N6O10
• Molecular Weight: 554.64 g/mol
• Exact Mass: 554.33
• IUPAC Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol
• SMILES: COCCOCCOCCO.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
• InChI: InChI=1S/C15H30N6O6.C7H16O4/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-9-4-5-11-7-6-10-3-2-8/h7-12H2,1-6H3;8H,2-7H2,1H3
• InChIKey: SRDJZOPOOIULOW-UHFFFAOYSA-N
• XLogP: -0.43
• TPSA: 151.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.64
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol?

The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol (CID 6455734) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol.

What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol?

The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol is COCCOCCOCCO.COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.

What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol?

The InChIKey is SRDJZOPOOIULOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6.C7H16O4/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6;1-9-4-5-11-7-6-10-3-2-8/h7-12H2,1-6H3;8H,2-7H2,1H3.

What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol?

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol has a molecular weight of 554.64 g/mol, XLogP of -0.43, 23 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-[2-(2-methoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 6455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).