butyl-(methoxymethyl)-dimethylazanium

C8H20NO+ — CID 87334201

IUPACbutyl-(methoxymethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)COC
InChIInChI=1S/C8H20NO/c1-5-6-7-9(2,3)8-10-4/h5-8H2,1-4H3/q+1
InChIKeyVJGAQZSQPXJMQG-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.47
Rot. Bonds5

About butyl-(methoxymethyl)-dimethylazanium

butyl-(methoxymethyl)-dimethylazanium (PubChem CID 87334201) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is butyl-(methoxymethyl)-dimethylazanium.

Molecular Properties

Compound Namebutyl-(methoxymethyl)-dimethylazanium
PubChem CID87334201
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Namebutyl-(methoxymethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)COC
InChIInChI=1S/C8H20NO/c1-5-6-7-9(2,3)8-10-4/h5-8H2,1-4H3/q+1
InChIKeyVJGAQZSQPXJMQG-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.47
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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Related Compounds

methoxymethyl-dimethyl-propylazanium
CID 87334195
butyl-dimethyl-propylazanium;ethane
CID 156736047
butyl-dimethyl-pentadecylazanium
CID 58827785
hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
butoxymethyl-decyl-dimethylazanium
CID 10494975
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
butyl-dodecyl-dimethylazanium iodide
CID 10524862
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315

Frequently Asked Questions

What is the IUPAC name of butyl-(methoxymethyl)-dimethylazanium?
The IUPAC name of butyl-(methoxymethyl)-dimethylazanium (CID 87334201) is butyl-(methoxymethyl)-dimethylazanium.
What is the SMILES notation for butyl-(methoxymethyl)-dimethylazanium?
The canonical SMILES for butyl-(methoxymethyl)-dimethylazanium is CCCC[N+](C)(C)COC.
What is the InChIKey of butyl-(methoxymethyl)-dimethylazanium?
The InChIKey is VJGAQZSQPXJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-5-6-7-9(2,3)8-10-4/h5-8H2,1-4H3/q+1.
What are the key properties of butyl-(methoxymethyl)-dimethylazanium?
butyl-(methoxymethyl)-dimethylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(methoxymethyl)-dimethylazanium is sourced from PubChem (CID 87334201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).