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

C9H22N2O2 — CID 87177194

IUPAC1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol
SMILESCC(O)NCC(C)OC(C)N(C)C
InChIInChI=1S/C9H22N2O2/c1-7(6-10-8(2)12)13-9(3)11(4)5/h7-10,12H,6H2,1-5H3
InChIKeyNHRDFPOCMNBMFJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.23
Rot. Bonds6

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

1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol (PubChem CID 87177194) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol
PubChem CID87177194
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol
SMILESCC(O)NCC(C)OC(C)N(C)C
InChIInChI=1S/C9H22N2O2/c1-7(6-10-8(2)12)13-9(3)11(4)5/h7-10,12H,6H2,1-5H3
InChIKeyNHRDFPOCMNBMFJ-UHFFFAOYSA-N
XLogP0.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol?
The IUPAC name of 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol (CID 87177194) is 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol.
What is the SMILES notation for 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol?
The canonical SMILES for 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol is CC(O)NCC(C)OC(C)N(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol?
The InChIKey is NHRDFPOCMNBMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-7(6-10-8(2)12)13-9(3)11(4)5/h7-10,12H,6H2,1-5H3.
What are the key properties of 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol?
1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol has a molecular weight of 190.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)ethoxy]propylamino]ethanol is sourced from PubChem (CID 87177194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).