2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol

C9H22N2O2 — CID 3086157

IUPAC2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol
SMILESCN(C)CCOCCN(C)CCO
InChIInChI=1S/C9H22N2O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h12H,4-9H2,1-3H3
InChIKeyNCUPDIHWMQEDPR-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.51
Rot. Bonds8

About 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol

2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol (PubChem CID 3086157) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol
PubChem CID3086157
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol
SMILESCN(C)CCOCCN(C)CCO
InChIInChI=1S/C9H22N2O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h12H,4-9H2,1-3H3
InChIKeyNCUPDIHWMQEDPR-UHFFFAOYSA-N
XLogP-0.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
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)ethoxy]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol (CID 3086157) is 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol is CN(C)CCOCCN(C)CCO.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol?
The InChIKey is NCUPDIHWMQEDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h12H,4-9H2,1-3H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol?
2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol has a molecular weight of 190.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol is sourced from PubChem (CID 3086157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).