2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

C18H42N4O6 — CID 15180778

IUPAC2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C18H42N4O6/c23-13-7-20(8-14-24)4-1-19(2-5-21(9-15-25)10-16-26)3-6-22(11-17-27)12-18-28/h23-28H,1-18H2
InChIKeyFFXKGRULQLPOAQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP-3.85
Rot. Bonds21

About 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 15180778) has the molecular formula C18H42N4O6 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID15180778
Molecular FormulaC18H42N4O6
Molecular Weight410.56 g/mol
Exact Mass410.31
IUPAC Name2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C18H42N4O6/c23-13-7-20(8-14-24)4-1-19(2-5-21(9-15-25)10-16-26)3-6-22(11-17-27)12-18-28/h23-28H,1-18H2
InChIKeyFFXKGRULQLPOAQ-UHFFFAOYSA-N
XLogP-3.85
TPSA134.34 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 5-3.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (CID 15180778) is 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CCN(CCN(CCO)CCO)CCN(CCO)CCO.
What is the InChIKey of 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is FFXKGRULQLPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O6/c23-13-7-20(8-14-24)4-1-19(2-5-21(9-15-25)10-16-26)3-6-22(11-17-27)12-18-28/h23-28H,1-18H2.
What are the key properties of 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 410.56 g/mol, XLogP of -3.85, 21 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 15180778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).