2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol

C11H22N2O — CID 87572084

IUPAC2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
SMILESC=CCN(CC=C)CCN(C)CCO
InChIInChI=1S/C11H22N2O/c1-4-6-13(7-5-2)9-8-12(3)10-11-14/h4-5,14H,1-2,6-11H2,3H3
InChIKeyJCAGGRPOPOQODI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds9

About 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol

2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol (PubChem CID 87572084) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
PubChem CID87572084
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
SMILESC=CCN(CC=C)CCN(C)CCO
InChIInChI=1S/C11H22N2O/c1-4-6-13(7-5-2)9-8-12(3)10-11-14/h4-5,14H,1-2,6-11H2,3H3
InChIKeyJCAGGRPOPOQODI-UHFFFAOYSA-N
XLogP0.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
CID 88520661
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
CID 161429573

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol (CID 87572084) is 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol is C=CCN(CC=C)CCN(C)CCO.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The InChIKey is JCAGGRPOPOQODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-13(7-5-2)9-8-12(3)10-11-14/h4-5,14H,1-2,6-11H2,3H3.
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol is sourced from PubChem (CID 87572084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).