2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol

C9H19NO2 — CID 18416769

IUPAC2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CCO)CCO
InChIInChI=1S/C9H19NO2/c1-9(2)3-4-10(5-7-11)6-8-12/h3,11-12H,4-8H2,1-2H3
InChIKeyUXKDXTADALMRST-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.24
Rot. Bonds6

About 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol

2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol (PubChem CID 18416769) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol
PubChem CID18416769
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CCO)CCO
InChIInChI=1S/C9H19NO2/c1-9(2)3-4-10(5-7-11)6-8-12/h3,11-12H,4-8H2,1-2H3
InChIKeyUXKDXTADALMRST-UHFFFAOYSA-N
XLogP0.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol (CID 18416769) is 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol is CC(C)=CCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol?
The InChIKey is UXKDXTADALMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)3-4-10(5-7-11)6-8-12/h3,11-12H,4-8H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol?
2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(3-methylbut-2-enyl)amino]ethanol is sourced from PubChem (CID 18416769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).