2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol

C11H24N2O4 — CID 87556561

IUPAC2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCC=C(N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C11H24N2O4/c1-2-11(12(3-7-14)4-8-15)13(5-9-16)6-10-17/h2,14-17H,3-10H2,1H3
InChIKeyGPMZXWGMWYZFHQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.58
Rot. Bonds10

About 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol

2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 87556561) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
PubChem CID87556561
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCC=C(N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C11H24N2O4/c1-2-11(12(3-7-14)4-8-15)13(5-9-16)6-10-17/h2,14-17H,3-10H2,1H3
InChIKeyGPMZXWGMWYZFHQ-UHFFFAOYSA-N
XLogP-1.58
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[Bis(2-hydroxyethyl)amino]ethenyl-(2-hydroxyethyl)amino]ethanol
CID 20488978
1-[1-[Bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22014460
1-[1-[Bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87655510
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
1-[1-Aminoprop-1-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 169739504
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
2-[1-(Dimethylamino)prop-1-enyl-methylamino]ethanol
CID 173039688
1-[1-(Dimethylamino)prop-1-enyl-methylamino]propan-2-ol
CID 173039695
2-[1-(Dimethylamino)prop-1-enyl-(2-methylpropyl)amino]ethanol
CID 173432448
1-[1-(Dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173439515
1-[1-[Bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173444050

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol (CID 87556561) is 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol is CC=C(N(CCO)CCO)N(CCO)CCO.
What is the InChIKey of 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GPMZXWGMWYZFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-2-11(12(3-7-14)4-8-15)13(5-9-16)6-10-17/h2,14-17H,3-10H2,1H3.
What are the key properties of 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 248.32 g/mol, XLogP of -1.58, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 87556561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).