copper 2-hydroxyethyl(trimethyl)azanium

C5H14CuNO+3 — CID 89239745

IUPACcopper 2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.[Cu+2]
InChIInChI=1S/C5H14NO.Cu/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;/q+1;+2
InChIKeyPAZJHTBLBOOTLC-UHFFFAOYSA-N
MW167.72 g/mol
LogP-0.32
Rot. Bonds2

About copper 2-hydroxyethyl(trimethyl)azanium

copper 2-hydroxyethyl(trimethyl)azanium (PubChem CID 89239745) has the molecular formula C5H14CuNO+3 and a molecular weight of 167.72 g/mol. Its IUPAC name is copper 2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namecopper 2-hydroxyethyl(trimethyl)azanium
PubChem CID89239745
Molecular FormulaC5H14CuNO+3
Molecular Weight167.72 g/mol
Exact Mass167.04
IUPAC Namecopper 2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.[Cu+2]
InChIInChI=1S/C5H14NO.Cu/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;/q+1;+2
InChIKeyPAZJHTBLBOOTLC-UHFFFAOYSA-N
XLogP-0.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.72
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 copper 2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of copper 2-hydroxyethyl(trimethyl)azanium (CID 89239745) is copper 2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for copper 2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for copper 2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.[Cu+2].
What is the InChIKey of copper 2-hydroxyethyl(trimethyl)azanium?
The InChIKey is PAZJHTBLBOOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.Cu/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;/q+1;+2.
What are the key properties of copper 2-hydroxyethyl(trimethyl)azanium?
copper 2-hydroxyethyl(trimethyl)azanium has a molecular weight of 167.72 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 89239745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).