2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol

C12H28N2O3 — CID 88992406

IUPAC2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol
SMILESCCNCCOCCOCCN(CC)CCO
InChIInChI=1S/C12H28N2O3/c1-3-13-5-9-16-11-12-17-10-7-14(4-2)6-8-15/h13,15H,3-12H2,1-2H3
InChIKeyFMFQGMKTURYORO-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.06
Rot. Bonds13

About 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol

2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol (PubChem CID 88992406) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol
PubChem CID88992406
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol
SMILESCCNCCOCCOCCN(CC)CCO
InChIInChI=1S/C12H28N2O3/c1-3-13-5-9-16-11-12-17-10-7-14(4-2)6-8-15/h13,15H,3-12H2,1-2H3
InChIKeyFMFQGMKTURYORO-UHFFFAOYSA-N
XLogP-0.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol (CID 88992406) is 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol is CCNCCOCCOCCN(CC)CCO.
What is the InChIKey of 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol?
The InChIKey is FMFQGMKTURYORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-3-13-5-9-16-11-12-17-10-7-14(4-2)6-8-15/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol?
2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol has a molecular weight of 248.37 g/mol, XLogP of -0.06, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]amino]ethanol is sourced from PubChem (CID 88992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).