2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol

C9H19NO3 — CID 14533861

IUPAC2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol
SMILESC=CCOCCN(CCO)CCO
InChIInChI=1S/C9H19NO3/c1-2-8-13-9-5-10(3-6-11)4-7-12/h2,11-12H,1,3-9H2
InChIKeyGPYGFDBBSSAYCJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.52
Rot. Bonds9

About 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol

2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol (PubChem CID 14533861) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol
PubChem CID14533861
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol
SMILESC=CCOCCN(CCO)CCO
InChIInChI=1S/C9H19NO3/c1-2-8-13-9-5-10(3-6-11)4-7-12/h2,11-12H,1,3-9H2
InChIKeyGPYGFDBBSSAYCJ-UHFFFAOYSA-N
XLogP-0.52
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol (CID 14533861) is 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol is C=CCOCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol?
The InChIKey is GPYGFDBBSSAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-8-13-9-5-10(3-6-11)4-7-12/h2,11-12H,1,3-9H2.
What are the key properties of 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol?
2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol has a molecular weight of 189.25 g/mol, XLogP of -0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol is sourced from PubChem (CID 14533861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).