(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium

C9H22NO+ — CID 149481560

IUPAC(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium
SMILESCC(C)(C)C(O)C[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-9(2,3)8(11)7-10(4,5)6/h8,11H,7H2,1-6H3/q+1
InChIKeyTZAHZHDGBKEFPI-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.10
Rot. Bonds2

About (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium

(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium (PubChem CID 149481560) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium
PubChem CID149481560
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium
SMILESCC(C)(C)C(O)C[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-9(2,3)8(11)7-10(4,5)6/h8,11H,7H2,1-6H3/q+1
InChIKeyTZAHZHDGBKEFPI-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.10
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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Related Compounds

[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
2,5,5-trimethylhexane-2,4-diol
CID 13378216
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
3,3-dimethyl-1-nitrobutan-2-ol
CID 13023786
1-amino-4,4-dimethylpentan-3-ol
CID 55283756

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium (CID 149481560) is (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium is CC(C)(C)C(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium?
The InChIKey is TZAHZHDGBKEFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-9(2,3)8(11)7-10(4,5)6/h8,11H,7H2,1-6H3/q+1.
What are the key properties of (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium?
(2-hydroxy-3,3-dimethylbutyl)-trimethylazanium has a molecular weight of 160.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,3-dimethylbutyl)-trimethylazanium is sourced from PubChem (CID 149481560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).