1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol

C9H21NO3 — CID 57226241

IUPAC1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
SMILESCCOCCCN(C(C)O)C(C)O
InChIInChI=1S/C9H21NO3/c1-4-13-7-5-6-10(8(2)11)9(3)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyXZHIKWNEDIQNOU-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.39
Rot. Bonds7

About 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol

1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol (PubChem CID 57226241) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
PubChem CID57226241
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
SMILESCCOCCCN(C(C)O)C(C)O
InChIInChI=1S/C9H21NO3/c1-4-13-7-5-6-10(8(2)11)9(3)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyXZHIKWNEDIQNOU-UHFFFAOYSA-N
XLogP0.39
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.39
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 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol (CID 57226241) is 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol is CCOCCCN(C(C)O)C(C)O.
What is the InChIKey of 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol?
The InChIKey is XZHIKWNEDIQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-4-13-7-5-6-10(8(2)11)9(3)12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol?
1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 57226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).