2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol

C8H20N2O2 — CID 50988953

IUPAC2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol
SMILESCN(C)CCNCCOCCO
InChIInChI=1S/C8H20N2O2/c1-10(2)5-3-9-4-7-12-8-6-11/h9,11H,3-8H2,1-2H3
InChIKeyPFPBTTMAWYSVKJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.85
Rot. Bonds8

About 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol

2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol (PubChem CID 50988953) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol
PubChem CID50988953
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol
SMILESCN(C)CCNCCOCCO
InChIInChI=1S/C8H20N2O2/c1-10(2)5-3-9-4-7-12-8-6-11/h9,11H,3-8H2,1-2H3
InChIKeyPFPBTTMAWYSVKJ-UHFFFAOYSA-N
XLogP-0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol (CID 50988953) is 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol is CN(C)CCNCCOCCO.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol?
The InChIKey is PFPBTTMAWYSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-10(2)5-3-9-4-7-12-8-6-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol?
2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol has a molecular weight of 176.26 g/mol, XLogP of -0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 50988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).