2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol

C13H26N2O4 — CID 166558154

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol
SMILESC#CCN(CCO)CCOCCOCCOCCN
InChIInChI=1S/C13H26N2O4/c1-2-4-15(5-7-16)6-9-18-11-13-19-12-10-17-8-3-14/h1,16H,3-14H2
InChIKeyJNBPBYAFHSBDSL-UHFFFAOYSA-N
MW274.36 g/mol
LogP-1.08
Rot. Bonds14

About 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol (PubChem CID 166558154) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol
PubChem CID166558154
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol
SMILESC#CCN(CCO)CCOCCOCCOCCN
InChIInChI=1S/C13H26N2O4/c1-2-4-15(5-7-16)6-9-18-11-13-19-12-10-17-8-3-14/h1,16H,3-14H2
InChIKeyJNBPBYAFHSBDSL-UHFFFAOYSA-N
XLogP-1.08
TPSA77.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol (CID 166558154) is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol is C#CCN(CCO)CCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol?
The InChIKey is JNBPBYAFHSBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-2-4-15(5-7-16)6-9-18-11-13-19-12-10-17-8-3-14/h1,16H,3-14H2.
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol?
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol has a molecular weight of 274.36 g/mol, XLogP of -1.08, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol is sourced from PubChem (CID 166558154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).