trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium

C9H22NO+ — CID 58408584

IUPACtrimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
SMILESCC(C)(C)OCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-9(2,3)11-8-7-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyMHXHQEWSUNXUGN-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds3

About trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium

trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium (PubChem CID 58408584) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
PubChem CID58408584
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Nametrimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
SMILESCC(C)(C)OCC[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-9(2,3)11-8-7-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyMHXHQEWSUNXUGN-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium (CID 58408584) is trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium is CC(C)(C)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
The InChIKey is MHXHQEWSUNXUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-9(2,3)11-8-7-10(4,5)6/h7-8H2,1-6H3/q+1.
What are the key properties of trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium?
trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium is sourced from PubChem (CID 58408584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).