2-[butyl(dimethyl)azaniumyl]ethanolate

C8H19NO — CID 134974763

IUPAC2-[butyl(dimethyl)azaniumyl]ethanolate
SMILESCCCC[N+](C)(C)CC[O-]
InChIInChI=1S/C8H19NO/c1-4-5-6-9(2,3)7-8-10/h4-8H2,1-3H3
InChIKeyYPEREWDZIAOQAR-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.22
Rot. Bonds5

About 2-[butyl(dimethyl)azaniumyl]ethanolate

2-[butyl(dimethyl)azaniumyl]ethanolate (PubChem CID 134974763) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-[butyl(dimethyl)azaniumyl]ethanolate.

Molecular Properties

Compound Name2-[butyl(dimethyl)azaniumyl]ethanolate
PubChem CID134974763
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-[butyl(dimethyl)azaniumyl]ethanolate
SMILESCCCC[N+](C)(C)CC[O-]
InChIInChI=1S/C8H19NO/c1-4-5-6-9(2,3)7-8-10/h4-8H2,1-3H3
InChIKeyYPEREWDZIAOQAR-UHFFFAOYSA-N
XLogP0.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.22
H-Bond Donors ≤ 50
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 2-[butyl(dimethyl)azaniumyl]ethanolate?
The IUPAC name of 2-[butyl(dimethyl)azaniumyl]ethanolate (CID 134974763) is 2-[butyl(dimethyl)azaniumyl]ethanolate.
What is the SMILES notation for 2-[butyl(dimethyl)azaniumyl]ethanolate?
The canonical SMILES for 2-[butyl(dimethyl)azaniumyl]ethanolate is CCCC[N+](C)(C)CC[O-].
What is the InChIKey of 2-[butyl(dimethyl)azaniumyl]ethanolate?
The InChIKey is YPEREWDZIAOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-6-9(2,3)7-8-10/h4-8H2,1-3H3.
What are the key properties of 2-[butyl(dimethyl)azaniumyl]ethanolate?
2-[butyl(dimethyl)azaniumyl]ethanolate has a molecular weight of 145.25 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)azaniumyl]ethanolate is sourced from PubChem (CID 134974763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).