butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium

C10H24NO2+ — CID 20802450

IUPACbutyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
SMILESCCCC[N+](C)(C)CCOCCO
InChIInChI=1S/C10H24NO2/c1-4-5-6-11(2,3)7-9-13-10-8-12/h12H,4-10H2,1-3H3/q+1
InChIKeyGKPBIWKSGYRXGV-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.87
Rot. Bonds8

About butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium

butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium (PubChem CID 20802450) has the molecular formula C10H24NO2+ and a molecular weight of 190.31 g/mol. Its IUPAC name is butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium.

Molecular Properties

Compound Namebutyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
PubChem CID20802450
Molecular FormulaC10H24NO2+
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Namebutyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
SMILESCCCC[N+](C)(C)CCOCCO
InChIInChI=1S/C10H24NO2/c1-4-5-6-11(2,3)7-9-13-10-8-12/h12H,4-10H2,1-3H3/q+1
InChIKeyGKPBIWKSGYRXGV-UHFFFAOYSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The IUPAC name of butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium (CID 20802450) is butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium.
What is the SMILES notation for butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The canonical SMILES for butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium is CCCC[N+](C)(C)CCOCCO.
What is the InChIKey of butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The InChIKey is GKPBIWKSGYRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2/c1-4-5-6-11(2,3)7-9-13-10-8-12/h12H,4-10H2,1-3H3/q+1.
What are the key properties of butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium has a molecular weight of 190.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium is sourced from PubChem (CID 20802450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).