(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide

C7H19NO2 — CID 14718014

IUPAC(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide
SMILESCC(CO)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-7(6-9)5-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1
InChIKeyASMRWLRRKMWMMY-UHFFFAOYSA-M
MW149.23 g/mol
LogP0.14
Rot. Bonds3

About (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide

(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide (PubChem CID 14718014) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide.

Molecular Properties

Compound Name(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide
PubChem CID14718014
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Name(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide
SMILESCC(CO)C[N+](C)(C)C.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-7(6-9)5-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1
InChIKeyASMRWLRRKMWMMY-UHFFFAOYSA-M
XLogP0.14
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide?
The IUPAC name of (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide (CID 14718014) is (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide.
What is the SMILES notation for (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide?
The canonical SMILES for (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide is CC(CO)C[N+](C)(C)C.[OH-].
What is the InChIKey of (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide?
The InChIKey is ASMRWLRRKMWMMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H2O/c1-7(6-9)5-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide?
(3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide has a molecular weight of 149.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylpropyl)-trimethylazanium hydroxide is sourced from PubChem (CID 14718014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).