2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride

C7H16ClNO4 — CID 174430293

IUPAC2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride
SMILESC=CCN(OCCO)OCCO.Cl
InChIInChI=1S/C7H15NO4.ClH/c1-2-3-8(11-6-4-9)12-7-5-10;/h2,9-10H,1,3-7H2;1H
InChIKeyYVFWKEKJMUOMFY-UHFFFAOYSA-N
MW213.66 g/mol
LogP-0.26
Rot. Bonds8

About 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride

2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride (PubChem CID 174430293) has the molecular formula C7H16ClNO4 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride
PubChem CID174430293
Molecular FormulaC7H16ClNO4
Molecular Weight213.66 g/mol
Exact Mass213.08
IUPAC Name2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride
SMILESC=CCN(OCCO)OCCO.Cl
InChIInChI=1S/C7H15NO4.ClH/c1-2-3-8(11-6-4-9)12-7-5-10;/h2,9-10H,1,3-7H2;1H
InChIKeyYVFWKEKJMUOMFY-UHFFFAOYSA-N
XLogP-0.26
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(2-hydroxyethoxy)amino]oxyethanol
CID 18004331
2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol
CID 174789836
2-[2-hydroxyethoxy(methoxymethyl)amino]oxyethanol
CID 87906536
2-[2-[bis(2-hydroxyethoxy)amino]ethoxy]ethanol
CID 87524691
N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
CID 87923177
2-prop-2-enylperoxyethanol
CID 59128215
CID 173190602
CID 173190602
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
CID 87919483
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
CID 174799065
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride?
The IUPAC name of 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride (CID 174430293) is 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride.
What is the SMILES notation for 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride?
The canonical SMILES for 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride is C=CCN(OCCO)OCCO.Cl.
What is the InChIKey of 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride?
The InChIKey is YVFWKEKJMUOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4.ClH/c1-2-3-8(11-6-4-9)12-7-5-10;/h2,9-10H,1,3-7H2;1H.
What are the key properties of 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride?
2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride is sourced from PubChem (CID 174430293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).