2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol

C8H18N2O — CID 173039688

IUPAC2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol
SMILESCC=C(N(C)C)N(C)CCO
InChIInChI=1S/C8H18N2O/c1-5-8(9(2)3)10(4)6-7-11/h5,11H,6-7H2,1-4H3
InChIKeyDYJUWWFDLYHQDV-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.33
Rot. Bonds4

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

2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol (PubChem CID 173039688) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol
PubChem CID173039688
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol
SMILESCC=C(N(C)C)N(C)CCO
InChIInChI=1S/C8H18N2O/c1-5-8(9(2)3)10(4)6-7-11/h5,11H,6-7H2,1-4H3
InChIKeyDYJUWWFDLYHQDV-UHFFFAOYSA-N
XLogP0.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
2-(3-propyl-2H-imidazol-1-yl)ethanol
CID 68799972
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-[Ethenyl-[1-[1-[methyl(propyl)amino]ethenyl-propylamino]ethenyl]amino]ethanol
CID 131969924
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
1-[1-(Dimethylamino)prop-1-enyl-methylamino]propan-2-ol
CID 173039695
2-[1-(Dimethylamino)prop-1-enylamino]ethanol
CID 173415492
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-methylamino]ethanol?
The IUPAC name of 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol (CID 173039688) is 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol?
The canonical SMILES for 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol is CC=C(N(C)C)N(C)CCO.
What is the InChIKey of 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol?
The InChIKey is DYJUWWFDLYHQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-8(9(2)3)10(4)6-7-11/h5,11H,6-7H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol?
2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol has a molecular weight of 158.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)prop-1-enyl-methylamino]ethanol is sourced from PubChem (CID 173039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).