2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol

C9H22N2O2 — CID 21463810

IUPAC2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol
SMILESCCCNC(O)COCCN(C)C
InChIInChI=1S/C9H22N2O2/c1-4-5-10-9(12)8-13-7-6-11(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyUZMHAKZSPIXFPT-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.12
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol

2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol (PubChem CID 21463810) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol
PubChem CID21463810
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol
SMILESCCCNC(O)COCCN(C)C
InChIInChI=1S/C9H22N2O2/c1-4-5-10-9(12)8-13-7-6-11(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyUZMHAKZSPIXFPT-UHFFFAOYSA-N
XLogP-0.12
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol (CID 21463810) is 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol is CCCNC(O)COCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol?
The InChIKey is UZMHAKZSPIXFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-4-5-10-9(12)8-13-7-6-11(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol?
2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol has a molecular weight of 190.29 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1-(propylamino)ethanol is sourced from PubChem (CID 21463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).