3-hydroxybutyl(trimethyl)azanium hydroxide

C7H19NO2 — CID 22731873

IUPAC3-hydroxybutyl(trimethyl)azanium hydroxide
SMILESCC(O)CC[N+](C)(C)C.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-7(9)5-6-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1
InChIKeyRPQFOXCKLIALTB-UHFFFAOYSA-M
MW149.23 g/mol
LogP0.29
Rot. Bonds3

About 3-hydroxybutyl(trimethyl)azanium hydroxide

3-hydroxybutyl(trimethyl)azanium hydroxide (PubChem CID 22731873) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is 3-hydroxybutyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name3-hydroxybutyl(trimethyl)azanium hydroxide
PubChem CID22731873
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Name3-hydroxybutyl(trimethyl)azanium hydroxide
SMILESCC(O)CC[N+](C)(C)C.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-7(9)5-6-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1
InChIKeyRPQFOXCKLIALTB-UHFFFAOYSA-M
XLogP0.29
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 ≤ 50.29
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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Related Compounds

3,3-dihydroxypropyl(trimethyl)azanium bromide
CID 174814493
[(3S)-3-chloro-3-hydroxypropyl]-trimethylazanium
CID 88657543
tributyl(3-hydroxybutyl)azanium hydroxide
CID 22731859
3,4-dimethylpentyl(trimethyl)azanium
CID 175623518
ethane;hexane-2,5-diol
CID 143963822
dibutyl-bis(3-hydroxybutyl)azanium
CID 22005942
[(4R,5S)-4,5-dihydroxyhexyl]-trimethylazanium iodide
CID 11055790
2-hydroxypropylmercury(1+) hydroxide
CID 3083910
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
(2R)-pentan-2-ol
CID 7014876
pentadecane-2,5,8,11,14-pentol
CID 175190041

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutyl(trimethyl)azanium hydroxide?
The IUPAC name of 3-hydroxybutyl(trimethyl)azanium hydroxide (CID 22731873) is 3-hydroxybutyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 3-hydroxybutyl(trimethyl)azanium hydroxide?
The canonical SMILES for 3-hydroxybutyl(trimethyl)azanium hydroxide is CC(O)CC[N+](C)(C)C.[OH-].
What is the InChIKey of 3-hydroxybutyl(trimethyl)azanium hydroxide?
The InChIKey is RPQFOXCKLIALTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H2O/c1-7(9)5-6-8(2,3)4;/h7,9H,5-6H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of 3-hydroxybutyl(trimethyl)azanium hydroxide?
3-hydroxybutyl(trimethyl)azanium hydroxide has a molecular weight of 149.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 22731873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).