butyl-(ethoxymethyl)-dimethylazanium

C9H22NO+ — CID 87333866

IUPACbutyl-(ethoxymethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)COCC
InChIInChI=1S/C9H22NO/c1-5-7-8-10(3,4)9-11-6-2/h5-9H2,1-4H3/q+1
InChIKeyFZYZWGCASHMHDP-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.86
Rot. Bonds6

About butyl-(ethoxymethyl)-dimethylazanium

butyl-(ethoxymethyl)-dimethylazanium (PubChem CID 87333866) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is butyl-(ethoxymethyl)-dimethylazanium.

Molecular Properties

Compound Namebutyl-(ethoxymethyl)-dimethylazanium
PubChem CID87333866
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Namebutyl-(ethoxymethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)COCC
InChIInChI=1S/C9H22NO/c1-5-7-8-10(3,4)9-11-6-2/h5-9H2,1-4H3/q+1
InChIKeyFZYZWGCASHMHDP-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(ethoxymethyl)-dimethylazanium?
The IUPAC name of butyl-(ethoxymethyl)-dimethylazanium (CID 87333866) is butyl-(ethoxymethyl)-dimethylazanium.
What is the SMILES notation for butyl-(ethoxymethyl)-dimethylazanium?
The canonical SMILES for butyl-(ethoxymethyl)-dimethylazanium is CCCC[N+](C)(C)COCC.
What is the InChIKey of butyl-(ethoxymethyl)-dimethylazanium?
The InChIKey is FZYZWGCASHMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-5-7-8-10(3,4)9-11-6-2/h5-9H2,1-4H3/q+1.
What are the key properties of butyl-(ethoxymethyl)-dimethylazanium?
butyl-(ethoxymethyl)-dimethylazanium has a molecular weight of 160.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(ethoxymethyl)-dimethylazanium is sourced from PubChem (CID 87333866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).