butyl-(2-hydroxyethyl)-dimethylazanium

C8H20NO+ — CID 14685487

IUPACbutyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CCO
InChIInChI=1S/C8H20NO/c1-4-5-6-9(2,3)7-8-10/h10H,4-8H2,1-3H3/q+1
InChIKeyOFKCUKBBQZATTA-UHFFFAOYSA-N
MW146.25 g/mol
LogP0.86
Rot. Bonds5

About butyl-(2-hydroxyethyl)-dimethylazanium

butyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 14685487) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is butyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namebutyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID14685487
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Namebutyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CCO
InChIInChI=1S/C8H20NO/c1-4-5-6-9(2,3)7-8-10/h10H,4-8H2,1-3H3/q+1
InChIKeyOFKCUKBBQZATTA-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 50.86
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 butyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of butyl-(2-hydroxyethyl)-dimethylazanium (CID 14685487) is butyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for butyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for butyl-(2-hydroxyethyl)-dimethylazanium is CCCC[N+](C)(C)CCO.
What is the InChIKey of butyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is OFKCUKBBQZATTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-4-5-6-9(2,3)7-8-10/h10H,4-8H2,1-3H3/q+1.
What are the key properties of butyl-(2-hydroxyethyl)-dimethylazanium?
butyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 146.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 14685487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).