trimethyl(oxan-3-yl)azanium

C8H18NO+ — CID 3049310

IUPACtrimethyl(oxan-3-yl)azanium
SMILESC[N+](C)(C)C1CCCOC1
InChIInChI=1S/C8H18NO/c1-9(2,3)8-5-4-6-10-7-8/h8H,4-7H2,1-3H3/q+1
InChIKeyFIBYWAIQQXFUFS-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.87
Rot. Bonds1

About trimethyl(oxan-3-yl)azanium

trimethyl(oxan-3-yl)azanium (PubChem CID 3049310) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is trimethyl(oxan-3-yl)azanium.

Molecular Properties

Compound Nametrimethyl(oxan-3-yl)azanium
PubChem CID3049310
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nametrimethyl(oxan-3-yl)azanium
SMILESC[N+](C)(C)C1CCCOC1
InChIInChI=1S/C8H18NO/c1-9(2,3)8-5-4-6-10-7-8/h8H,4-7H2,1-3H3/q+1
InChIKeyFIBYWAIQQXFUFS-UHFFFAOYSA-N
XLogP0.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
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 trimethyl(oxan-3-yl)azanium?
The IUPAC name of trimethyl(oxan-3-yl)azanium (CID 3049310) is trimethyl(oxan-3-yl)azanium.
What is the SMILES notation for trimethyl(oxan-3-yl)azanium?
The canonical SMILES for trimethyl(oxan-3-yl)azanium is C[N+](C)(C)C1CCCOC1.
What is the InChIKey of trimethyl(oxan-3-yl)azanium?
The InChIKey is FIBYWAIQQXFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-9(2,3)8-5-4-6-10-7-8/h8H,4-7H2,1-3H3/q+1.
What are the key properties of trimethyl(oxan-3-yl)azanium?
trimethyl(oxan-3-yl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(oxan-3-yl)azanium is sourced from PubChem (CID 3049310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).