(2-hydroxy-2-methylbutyl)-trimethylazanium chloride

C8H20ClNO — CID 24833430

IUPAC(2-hydroxy-2-methylbutyl)-trimethylazanium chloride
SMILESCCC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO.ClH/c1-6-8(2,10)7-9(3,4)5;/h10H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyNIWZTBHLGFMHQD-UHFFFAOYSA-M
MW181.71 g/mol
LogP-2.14
Rot. Bonds3

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

(2-hydroxy-2-methylbutyl)-trimethylazanium chloride (PubChem CID 24833430) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is (2-hydroxy-2-methylbutyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(2-hydroxy-2-methylbutyl)-trimethylazanium chloride
PubChem CID24833430
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name(2-hydroxy-2-methylbutyl)-trimethylazanium chloride
SMILESCCC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO.ClH/c1-6-8(2,10)7-9(3,4)5;/h10H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyNIWZTBHLGFMHQD-UHFFFAOYSA-M
XLogP-2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 5-2.14
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-methylbutyl)-trimethylazanium chloride?
The IUPAC name of (2-hydroxy-2-methylbutyl)-trimethylazanium chloride (CID 24833430) is (2-hydroxy-2-methylbutyl)-trimethylazanium chloride.
What is the SMILES notation for (2-hydroxy-2-methylbutyl)-trimethylazanium chloride?
The canonical SMILES for (2-hydroxy-2-methylbutyl)-trimethylazanium chloride is CCC(C)(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of (2-hydroxy-2-methylbutyl)-trimethylazanium chloride?
The InChIKey is NIWZTBHLGFMHQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.ClH/c1-6-8(2,10)7-9(3,4)5;/h10H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of (2-hydroxy-2-methylbutyl)-trimethylazanium chloride?
(2-hydroxy-2-methylbutyl)-trimethylazanium chloride has a molecular weight of 181.71 g/mol, XLogP of -2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylbutyl)-trimethylazanium chloride is sourced from PubChem (CID 24833430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).