[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium

C10H24NO2+ — CID 173162360

IUPAC[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium
SMILESCCC(CO)CC(O)C[N+](C)(C)C
InChIInChI=1S/C10H24NO2/c1-5-9(8-12)6-10(13)7-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3/q+1
InChIKeyAJOAFHVXXURKLA-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.46
Rot. Bonds6

About [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium

[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium (PubChem CID 173162360) has the molecular formula C10H24NO2+ and a molecular weight of 190.31 g/mol. Its IUPAC name is [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium
PubChem CID173162360
Molecular FormulaC10H24NO2+
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium
SMILESCCC(CO)CC(O)C[N+](C)(C)C
InChIInChI=1S/C10H24NO2/c1-5-9(8-12)6-10(13)7-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3/q+1
InChIKeyAJOAFHVXXURKLA-UHFFFAOYSA-N
XLogP0.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethylbutane-1,4-diol
CID 22444229
2-ethyldecane-1,4-diol
CID 90936886
2-ethylbutyl(trimethyl)azanium hydroxide
CID 135203842
2-octylhexane-1,4-diol
CID 155059029
2,4-diethylpentane-1,5-diol;hexane-1,6-diol
CID 139343033
4-amino-2-ethylhexan-1-ol
CID 148917024
(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
CID 11543074
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
2-hexyldecane-1,4-diol
CID 54102250
[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-(fluoromethyl)butan-1-ol
CID 59510838
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium (CID 173162360) is [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium is CCC(CO)CC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium?
The InChIKey is AJOAFHVXXURKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2/c1-5-9(8-12)6-10(13)7-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3/q+1.
What are the key properties of [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium?
[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium has a molecular weight of 190.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium is sourced from PubChem (CID 173162360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).