(2-hydroxy-2-methylpropyl)-trimethylazanium

C7H18NO+ — CID 3026681

IUPAC(2-hydroxy-2-methylpropyl)-trimethylazanium
SMILESCC(C)(O)C[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-7(2,9)6-8(3,4)5/h9H,6H2,1-5H3/q+1
InChIKeyXBJTWZKZOIUPOS-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.46
Rot. Bonds2

About (2-hydroxy-2-methylpropyl)-trimethylazanium

(2-hydroxy-2-methylpropyl)-trimethylazanium (PubChem CID 3026681) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl)-trimethylazanium
PubChem CID3026681
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Name(2-hydroxy-2-methylpropyl)-trimethylazanium
SMILESCC(C)(O)C[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-7(2,9)6-8(3,4)5/h9H,6H2,1-5H3/q+1
InChIKeyXBJTWZKZOIUPOS-UHFFFAOYSA-N
XLogP0.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 (2-hydroxy-2-methylpropyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-2-methylpropyl)-trimethylazanium (CID 3026681) is (2-hydroxy-2-methylpropyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-2-methylpropyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-2-methylpropyl)-trimethylazanium is CC(C)(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-2-methylpropyl)-trimethylazanium?
The InChIKey is XBJTWZKZOIUPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-7(2,9)6-8(3,4)5/h9H,6H2,1-5H3/q+1.
What are the key properties of (2-hydroxy-2-methylpropyl)-trimethylazanium?
(2-hydroxy-2-methylpropyl)-trimethylazanium has a molecular weight of 132.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl)-trimethylazanium is sourced from PubChem (CID 3026681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).