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

C9H20N2O2 — CID 154429578

IUPAC2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCC=C(N(C)C)N(CCO)CCO
InChIInChI=1S/C9H20N2O2/c1-4-9(10(2)3)11(5-7-12)6-8-13/h4,12-13H,5-8H2,1-3H3
InChIKeySEHQPAQHJVKUHF-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.30
Rot. Bonds6

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

2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 154429578) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
PubChem CID154429578
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
SMILESCC=C(N(C)C)N(CCO)CCO
InChIInChI=1S/C9H20N2O2/c1-4-9(10(2)3)11(5-7-12)6-8-13/h4,12-13H,5-8H2,1-3H3
InChIKeySEHQPAQHJVKUHF-UHFFFAOYSA-N
XLogP-0.30
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-[1-[Bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 87556561
1-[1-[Bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87655510
2-[1-[Bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
CID 88675384
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol (CID 154429578) is 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol is CC=C(N(C)C)N(CCO)CCO.
What is the InChIKey of 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SEHQPAQHJVKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-9(10(2)3)11(5-7-12)6-8-13/h4,12-13H,5-8H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol?
2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 188.27 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 154429578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).