2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol

C9H20N2O2 — CID 91480827

IUPAC2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCN(C)C=CCN(CCO)CCO
InChIInChI=1S/C9H20N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,12-13H,5-9H2,1-2H3
InChIKeyZOYQJKLWQHEIJK-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.65
Rot. Bonds7

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

2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 91480827) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol
PubChem CID91480827
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCN(C)C=CCN(CCO)CCO
InChIInChI=1S/C9H20N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,12-13H,5-9H2,1-2H3
InChIKeyZOYQJKLWQHEIJK-UHFFFAOYSA-N
XLogP-0.65
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol (CID 91480827) is 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol is CN(C)C=CCN(CCO)CCO.
What is the InChIKey of 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZOYQJKLWQHEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,12-13H,5-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 188.27 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)prop-2-enyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 91480827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).