2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

C28H50N10O8 — CID 54171418

About 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 54171418) has the molecular formula C28H50N10O8 and a molecular weight of 654.77 g/mol. Its IUPAC name is 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
• PubChem CID: 54171418
• Molecular Formula: C28H50N10O8
• Molecular Weight: 654.77 g/mol
• Exact Mass: 654.38
• IUPAC Name: 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
• SMILES: OCCOCCNc1nc(NCCOCCO)nc(C2CCCC(c3nc(NCCOCCO)nc(NCCOCCO)n3)C2)n1
• InChI: InChI=1S/C28H50N10O8/c39-8-16-43-12-4-29-25-33-23(34-26(37-25)30-5-13-44-17-9-40)21-2-1-3-22(20-21)24-35-27(31-6-14-45-18-10-41)38-28(36-24)32-7-15-46-19-11-42/h21-22,39-42H,1-20H2,(H2,29,30,33,34,37)(H2,31,32,35,36,38)
• InChIKey: OVHLZMHFRZVTAH-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 243.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.77
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?

The IUPAC name of 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 54171418) is 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?

The canonical SMILES for 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(NCCOCCO)nc(C2CCCC(c3nc(NCCOCCO)nc(NCCOCCO)n3)C2)n1.

What is the InChIKey of 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?

The InChIKey is OVHLZMHFRZVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N10O8/c39-8-16-43-12-4-29-25-33-23(34-26(37-25)30-5-13-44-17-9-40)21-2-1-3-22(20-21)24-35-27(31-6-14-45-18-10-41)38-28(36-24)32-7-15-46-19-11-42/h21-22,39-42H,1-20H2,(H2,29,30,33,34,37)(H2,31,32,35,36,38).

What are the key properties of 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?

2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 654.77 g/mol, XLogP of -0.82, 26 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[3-[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 54171418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).