[1-ethoxypropyl(hydroxymethyl)amino]methanol

C7H17NO3 — CID 18004311

IUPAC[1-ethoxypropyl(hydroxymethyl)amino]methanol
SMILESCCOC(CC)N(CO)CO
InChIInChI=1S/C7H17NO3/c1-3-7(11-4-2)8(5-9)6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyACOZTWFXYJRGRH-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.04
Rot. Bonds6

About [1-ethoxypropyl(hydroxymethyl)amino]methanol

[1-ethoxypropyl(hydroxymethyl)amino]methanol (PubChem CID 18004311) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is [1-ethoxypropyl(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[1-ethoxypropyl(hydroxymethyl)amino]methanol
PubChem CID18004311
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name[1-ethoxypropyl(hydroxymethyl)amino]methanol
SMILESCCOC(CC)N(CO)CO
InChIInChI=1S/C7H17NO3/c1-3-7(11-4-2)8(5-9)6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyACOZTWFXYJRGRH-UHFFFAOYSA-N
XLogP-0.04
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.04
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-ethoxypropyl(hydroxymethyl)amino]methanol?
The IUPAC name of [1-ethoxypropyl(hydroxymethyl)amino]methanol (CID 18004311) is [1-ethoxypropyl(hydroxymethyl)amino]methanol.
What is the SMILES notation for [1-ethoxypropyl(hydroxymethyl)amino]methanol?
The canonical SMILES for [1-ethoxypropyl(hydroxymethyl)amino]methanol is CCOC(CC)N(CO)CO.
What is the InChIKey of [1-ethoxypropyl(hydroxymethyl)amino]methanol?
The InChIKey is ACOZTWFXYJRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-3-7(11-4-2)8(5-9)6-10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of [1-ethoxypropyl(hydroxymethyl)amino]methanol?
[1-ethoxypropyl(hydroxymethyl)amino]methanol has a molecular weight of 163.22 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxypropyl(hydroxymethyl)amino]methanol is sourced from PubChem (CID 18004311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).