2-[2-ethylbutyl(prop-2-enyl)amino]ethanol

C11H23NO — CID 115875421

IUPAC2-[2-ethylbutyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-12(8-9-13)10-11(5-2)6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyAHXYIGQFMGQENJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.90
Rot. Bonds8

About 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol

2-[2-ethylbutyl(prop-2-enyl)amino]ethanol (PubChem CID 115875421) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-ethylbutyl(prop-2-enyl)amino]ethanol
PubChem CID115875421
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[2-ethylbutyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(CC)CC
InChIInChI=1S/C11H23NO/c1-4-7-12(8-9-13)10-11(5-2)6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyAHXYIGQFMGQENJ-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol (CID 115875421) is 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC(CC)CC.
What is the InChIKey of 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol?
The InChIKey is AHXYIGQFMGQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-12(8-9-13)10-11(5-2)6-3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol?
2-[2-ethylbutyl(prop-2-enyl)amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylbutyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115875421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).