(2-hydroxy-2-methylpropyl)-trimethylazanium chloride

C7H18ClNO — CID 3026680

IUPAC(2-hydroxy-2-methylpropyl)-trimethylazanium chloride
SMILESCC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18NO.ClH/c1-7(2,9)6-8(3,4)5;/h9H,6H2,1-5H3;1H/q+1;/p-1
InChIKeyBAQSDDCVLLLMOS-UHFFFAOYSA-M
MW167.68 g/mol
LogP-2.53
Rot. Bonds2

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

(2-hydroxy-2-methylpropyl)-trimethylazanium chloride (PubChem CID 3026680) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl)-trimethylazanium chloride
PubChem CID3026680
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name(2-hydroxy-2-methylpropyl)-trimethylazanium chloride
SMILESCC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18NO.ClH/c1-7(2,9)6-8(3,4)5;/h9H,6H2,1-5H3;1H/q+1;/p-1
InChIKeyBAQSDDCVLLLMOS-UHFFFAOYSA-M
XLogP-2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-hydroxy-2-methylpropyl)-trimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl)-trimethylazanium chloride?
The IUPAC name of (2-hydroxy-2-methylpropyl)-trimethylazanium chloride (CID 3026680) is (2-hydroxy-2-methylpropyl)-trimethylazanium chloride.
What is the SMILES notation for (2-hydroxy-2-methylpropyl)-trimethylazanium chloride?
The canonical SMILES for (2-hydroxy-2-methylpropyl)-trimethylazanium chloride is CC(C)(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of (2-hydroxy-2-methylpropyl)-trimethylazanium chloride?
The InChIKey is BAQSDDCVLLLMOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.ClH/c1-7(2,9)6-8(3,4)5;/h9H,6H2,1-5H3;1H/q+1;/p-1.
What are the key properties of (2-hydroxy-2-methylpropyl)-trimethylazanium chloride?
(2-hydroxy-2-methylpropyl)-trimethylazanium chloride has a molecular weight of 167.68 g/mol, XLogP of -2.53, 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 chloride is sourced from PubChem (CID 3026680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).