2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine

C10H23N4O+ — CID 20563145

IUPAC2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine
SMILESC[N+](C)(C)CCO.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C5H14NO/c6-2-1-5-3-7-4-8-5;1-6(2,3)4-5-7/h3-4H,1-2,6H2,(H,7,8);7H,4-5H2,1-3H3/q;+1
InChIKeyGFXSUURRGJFSGE-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.40
Rot. Bonds4

About 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine

2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 20563145) has the molecular formula C10H23N4O+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine
PubChem CID20563145
Molecular FormulaC10H23N4O+
Molecular Weight215.32 g/mol
Exact Mass215.19
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine
SMILESC[N+](C)(C)CCO.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C5H14NO/c6-2-1-5-3-7-4-8-5;1-6(2,3)4-5-7/h3-4H,1-2,6H2,(H,7,8);7H,4-5H2,1-3H3/q;+1
InChIKeyGFXSUURRGJFSGE-UHFFFAOYSA-N
XLogP-0.40
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine (CID 20563145) is 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine is C[N+](C)(C)CCO.NCCc1cnc[nH]1.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is GFXSUURRGJFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C5H14NO/c6-2-1-5-3-7-4-8-5;1-6(2,3)4-5-7/h3-4H,1-2,6H2,(H,7,8);7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine?
2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 215.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 20563145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).