3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol

C9H19NO3 — CID 88618761

IUPAC3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol
SMILESC=C(O)COCCCN(C)CCO
InChIInChI=1S/C9H19NO3/c1-9(12)8-13-7-3-4-10(2)5-6-11/h11-12H,1,3-8H2,2H3
InChIKeyKXVYOXIBPJGGTC-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.39
Rot. Bonds8

About 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol

3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol (PubChem CID 88618761) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol
PubChem CID88618761
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol
SMILESC=C(O)COCCCN(C)CCO
InChIInChI=1S/C9H19NO3/c1-9(12)8-13-7-3-4-10(2)5-6-11/h11-12H,1,3-8H2,2H3
InChIKeyKXVYOXIBPJGGTC-UHFFFAOYSA-N
XLogP0.39
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol 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

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
1,1-bis(2-hydroxyethyl)-3-[3-[3-(2-methoxyethoxy)propyl-methylamino]propyl]-3-methylurea;ethane;sulfanide;yttrium
CID 169233810
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
CID 156751317
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
CID 161429573

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol?
The IUPAC name of 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol (CID 88618761) is 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol.
What is the SMILES notation for 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol?
The canonical SMILES for 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol is C=C(O)COCCCN(C)CCO.
What is the InChIKey of 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol?
The InChIKey is KXVYOXIBPJGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(12)8-13-7-3-4-10(2)5-6-11/h11-12H,1,3-8H2,2H3.
What are the key properties of 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol?
3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol has a molecular weight of 189.25 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol is sourced from PubChem (CID 88618761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).