2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol

C16H37N3O5 — CID 167139785

IUPAC2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
SMILESOCCN(CCO)CCCN(CCO)CCCN(CCO)CCO
InChIInChI=1S/C16H37N3O5/c20-12-7-17(3-1-5-18(8-13-21)9-14-22)4-2-6-19(10-15-23)11-16-24/h20-24H,1-16H2
InChIKeyNYIZFTCMDSUMDV-UHFFFAOYSA-N
MW351.49 g/mol
LogP-2.37
Rot. Bonds18

About 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol

2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol (PubChem CID 167139785) has the molecular formula C16H37N3O5 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
PubChem CID167139785
Molecular FormulaC16H37N3O5
Molecular Weight351.49 g/mol
Exact Mass351.27
IUPAC Name2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
SMILESOCCN(CCO)CCCN(CCO)CCCN(CCO)CCO
InChIInChI=1S/C16H37N3O5/c20-12-7-17(3-1-5-18(8-13-21)9-14-22)4-2-6-19(10-15-23)11-16-24/h20-24H,1-16H2
InChIKeyNYIZFTCMDSUMDV-UHFFFAOYSA-N
XLogP-2.37
TPSA110.87 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[2-hydroxyethyl-[3-[2-hydroxyethyl(oxido)amino]propyl]amino]ethanol
CID 88646865
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696

Frequently Asked Questions

What is the IUPAC name of 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol?
The IUPAC name of 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol (CID 167139785) is 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol?
The canonical SMILES for 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol is OCCN(CCO)CCCN(CCO)CCCN(CCO)CCO.
What is the InChIKey of 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol?
The InChIKey is NYIZFTCMDSUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O5/c20-12-7-17(3-1-5-18(8-13-21)9-14-22)4-2-6-19(10-15-23)11-16-24/h20-24H,1-16H2.
What are the key properties of 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol?
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol has a molecular weight of 351.49 g/mol, XLogP of -2.37, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol is sourced from PubChem (CID 167139785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).