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

C9H20N2O2 — CID 173439515

IUPAC1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
SMILESCC=C(N(C)C)N(C(C)O)C(C)O
InChIInChI=1S/C9H20N2O2/c1-6-9(10(4)5)11(7(2)12)8(3)13/h6-8,12-13H,1-5H3
InChIKeyKFMWDEBUNVAJCB-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.39
Rot. Bonds4

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

1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol (PubChem CID 173439515) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
PubChem CID173439515
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
SMILESCC=C(N(C)C)N(C(C)O)C(C)O
InChIInChI=1S/C9H20N2O2/c1-6-9(10(4)5)11(7(2)12)8(3)13/h6-8,12-13H,1-5H3
InChIKeyKFMWDEBUNVAJCB-UHFFFAOYSA-N
XLogP0.39
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
1-[1-[Bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87932033
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
1-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 156562683
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
2-[1-(Dimethylamino)prop-1-enyl-methylamino]ethanol
CID 173039688
2-[1-(Dimethylamino)prop-1-enyl-(2-methylpropyl)amino]ethanol
CID 173432448
1-[1-[Bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173444050
1-[1-[Bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol
CID 173444063
1-[1-(Diethylamino)prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 173582317
1-[1-(Dimethylamino)prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 173582318

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol (CID 173439515) is 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol is CC=C(N(C)C)N(C(C)O)C(C)O.
What is the InChIKey of 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The InChIKey is KFMWDEBUNVAJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6-9(10(4)5)11(7(2)12)8(3)13/h6-8,12-13H,1-5H3.
What are the key properties of 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol has a molecular weight of 188.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 173439515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).