butoxymethyl(trimethyl)azanium iodide

C8H20INO — CID 3026388

IUPACbutoxymethyl(trimethyl)azanium iodide
SMILESCCCCOC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyPGOXMDVAVABSFL-UHFFFAOYSA-M
MW273.16 g/mol
LogP-1.53
Rot. Bonds5

About butoxymethyl(trimethyl)azanium iodide

butoxymethyl(trimethyl)azanium iodide (PubChem CID 3026388) has the molecular formula C8H20INO and a molecular weight of 273.16 g/mol. Its IUPAC name is butoxymethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namebutoxymethyl(trimethyl)azanium iodide
PubChem CID3026388
Molecular FormulaC8H20INO
Molecular Weight273.16 g/mol
Exact Mass273.06
IUPAC Namebutoxymethyl(trimethyl)azanium iodide
SMILESCCCCOC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyPGOXMDVAVABSFL-UHFFFAOYSA-M
XLogP-1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxymethyl(trimethyl)azanium iodide?
The IUPAC name of butoxymethyl(trimethyl)azanium iodide (CID 3026388) is butoxymethyl(trimethyl)azanium iodide.
What is the SMILES notation for butoxymethyl(trimethyl)azanium iodide?
The canonical SMILES for butoxymethyl(trimethyl)azanium iodide is CCCCOC[N+](C)(C)C.[I-].
What is the InChIKey of butoxymethyl(trimethyl)azanium iodide?
The InChIKey is PGOXMDVAVABSFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.HI/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of butoxymethyl(trimethyl)azanium iodide?
butoxymethyl(trimethyl)azanium iodide has a molecular weight of 273.16 g/mol, XLogP of -1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethyl(trimethyl)azanium iodide is sourced from PubChem (CID 3026388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).