bis(2-hydroxyethyl)-methyl-prop-2-enylazanium

C8H18NO2+ — CID 67127300

IUPACbis(2-hydroxyethyl)-methyl-prop-2-enylazanium
SMILESC=CC[N+](C)(CCO)CCO
InChIInChI=1S/C8H18NO2/c1-3-4-9(2,5-7-10)6-8-11/h3,10-11H,1,4-8H2,2H3/q+1
InChIKeyNGXUFGORFQGMDA-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.40
Rot. Bonds6

About bis(2-hydroxyethyl)-methyl-prop-2-enylazanium

bis(2-hydroxyethyl)-methyl-prop-2-enylazanium (PubChem CID 67127300) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-methyl-prop-2-enylazanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-methyl-prop-2-enylazanium
PubChem CID67127300
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Namebis(2-hydroxyethyl)-methyl-prop-2-enylazanium
SMILESC=CC[N+](C)(CCO)CCO
InChIInChI=1S/C8H18NO2/c1-3-4-9(2,5-7-10)6-8-11/h3,10-11H,1,4-8H2,2H3/q+1
InChIKeyNGXUFGORFQGMDA-UHFFFAOYSA-N
XLogP-0.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-Allyl-2,2'-iminodiethanol
CID 41439
2-(Diallylamino)ethanol
CID 253018
Cobalt(2+);bis(2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol);dichloride
CID 41438
1,1'-(2-Propen-1-ylimino)bis[2-propanol]
CID 23423740
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
2-[Methyl(3-methylbut-2-en-1-yl)amino]ethan-1-ol
CID 60683958
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
1-[1-Hydroxyethyl(prop-2-enyl)amino]ethanol
CID 18004267
Allyl tris-(2-hydroxyethyl)ammonium chloride
CID 87969591
2-[2-Hydroxyethyl(2-methylprop-2-enyl)amino]ethanol
CID 42881
dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium
CID 5282454
2-[1-Fluoroprop-2-enyl(2-hydroxyethyl)amino]ethanol
CID 88499328

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-methyl-prop-2-enylazanium?
The IUPAC name of bis(2-hydroxyethyl)-methyl-prop-2-enylazanium (CID 67127300) is bis(2-hydroxyethyl)-methyl-prop-2-enylazanium.
What is the SMILES notation for bis(2-hydroxyethyl)-methyl-prop-2-enylazanium?
The canonical SMILES for bis(2-hydroxyethyl)-methyl-prop-2-enylazanium is C=CC[N+](C)(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-methyl-prop-2-enylazanium?
The InChIKey is NGXUFGORFQGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-3-4-9(2,5-7-10)6-8-11/h3,10-11H,1,4-8H2,2H3/q+1.
What are the key properties of bis(2-hydroxyethyl)-methyl-prop-2-enylazanium?
bis(2-hydroxyethyl)-methyl-prop-2-enylazanium has a molecular weight of 160.24 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-methyl-prop-2-enylazanium is sourced from PubChem (CID 67127300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).