2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol

C9H22N2O4 — CID 59986137

IUPAC2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol
SMILESCCC(OCNCCO)OCNCCO
InChIInChI=1S/C9H22N2O4/c1-2-9(14-7-10-3-5-12)15-8-11-4-6-13/h9-13H,2-8H2,1H3
InChIKeySNIIRBLXQYEWHM-UHFFFAOYSA-N
MW222.28 g/mol
LogP-1.17
Rot. Bonds11

About 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol

2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol (PubChem CID 59986137) has the molecular formula C9H22N2O4 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol
PubChem CID59986137
Molecular FormulaC9H22N2O4
Molecular Weight222.28 g/mol
Exact Mass222.16
IUPAC Name2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol
SMILESCCC(OCNCCO)OCNCCO
InChIInChI=1S/C9H22N2O4/c1-2-9(14-7-10-3-5-12)15-8-11-4-6-13/h9-13H,2-8H2,1H3
InChIKeySNIIRBLXQYEWHM-UHFFFAOYSA-N
XLogP-1.17
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol?
The IUPAC name of 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol (CID 59986137) is 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol.
What is the SMILES notation for 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol?
The canonical SMILES for 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol is CCC(OCNCCO)OCNCCO.
What is the InChIKey of 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol?
The InChIKey is SNIIRBLXQYEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4/c1-2-9(14-7-10-3-5-12)15-8-11-4-6-13/h9-13H,2-8H2,1H3.
What are the key properties of 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol?
2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol has a molecular weight of 222.28 g/mol, XLogP of -1.17, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxyethylamino)methoxy]propoxymethylamino]ethanol is sourced from PubChem (CID 59986137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).