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

C27H54N6O12 — CID 58238443

IUPAC2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESOCCOCCOCCN(CCOCCO)c1nc(N(CCO)CCOCCO)nc(N(CCOCCO)CCOCCO)n1
InChIInChI=1S/C27H54N6O12/c34-7-1-31(2-13-40-18-8-35)25-28-26(32(3-14-41-19-9-36)4-15-42-20-10-37)30-27(29-25)33(5-16-43-21-11-38)6-17-44-23-24-45-22-12-39/h34-39H,1-24H2
InChIKeyAIOXIYNPAPOFLT-UHFFFAOYSA-N
MW654.76 g/mol
LogP-3.66
Rot. Bonds33

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

2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (PubChem CID 58238443) has the molecular formula C27H54N6O12 and a molecular weight of 654.76 g/mol. Its IUPAC name is 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
PubChem CID58238443
Molecular FormulaC27H54N6O12
Molecular Weight654.76 g/mol
Exact Mass654.38
IUPAC Name2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESOCCOCCOCCN(CCOCCO)c1nc(N(CCO)CCOCCO)nc(N(CCOCCO)CCOCCO)n1
InChIInChI=1S/C27H54N6O12/c34-7-1-31(2-13-40-18-8-35)25-28-26(32(3-14-41-19-9-36)4-15-42-20-10-37)30-27(29-25)33(5-16-43-21-11-38)6-17-44-23-24-45-22-12-39/h34-39H,1-24H2
InChIKeyAIOXIYNPAPOFLT-UHFFFAOYSA-N
XLogP-3.66
TPSA225.15 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.76
LogP ≤ 5-3.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (CID 58238443) is 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is OCCOCCOCCN(CCOCCO)c1nc(N(CCO)CCOCCO)nc(N(CCOCCO)CCOCCO)n1.
What is the InChIKey of 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The InChIKey is AIOXIYNPAPOFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6O12/c34-7-1-31(2-13-40-18-8-35)25-28-26(32(3-14-41-19-9-36)4-15-42-20-10-37)30-27(29-25)33(5-16-43-21-11-38)6-17-44-23-24-45-22-12-39/h34-39H,1-24H2.
What are the key properties of 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol has a molecular weight of 654.76 g/mol, XLogP of -3.66, 33 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazin-2-yl]-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 58238443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).