4-hydroxybutyl(trimethyl)azanium hydroxide

C7H19NO2 — CID 13115255

IUPAC4-hydroxybutyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCCCO.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-8(2,3)6-4-5-7-9;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1
InChIKeyYZHQBWDNOANICQ-UHFFFAOYSA-M
MW149.23 g/mol
LogP0.29
Rot. Bonds4

About 4-hydroxybutyl(trimethyl)azanium hydroxide

4-hydroxybutyl(trimethyl)azanium hydroxide (PubChem CID 13115255) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is 4-hydroxybutyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name4-hydroxybutyl(trimethyl)azanium hydroxide
PubChem CID13115255
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Name4-hydroxybutyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCCCO.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-8(2,3)6-4-5-7-9;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1
InChIKeyYZHQBWDNOANICQ-UHFFFAOYSA-M
XLogP0.29
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-hydroxybutyl(trimethyl)azanium hydroxide with MolForge

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

Launch Full Analysis

Related Compounds

16-hydroxyhexadecyl(trimethyl)azanium bromide
CID 10762327
18-hydroxyoctadecyl(trimethyl)azanium;hydrobromide
CID 163969150
3-hydroxypropyl(trimethyl)azanium;hydrochloride
CID 88716804
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
boric acid;butane-1,4-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175230989
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
hexyl(trimethyl)azanium;pentan-1-ol;prop-1-ene
CID 174584647
nickel(2+);tetrakis(4-hydroxybutyl)azanium
CID 159796209
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764
3-hydroxypropyl(trimethyl)azanium formate
CID 19704308
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl(trimethyl)azanium hydroxide?
The IUPAC name of 4-hydroxybutyl(trimethyl)azanium hydroxide (CID 13115255) is 4-hydroxybutyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 4-hydroxybutyl(trimethyl)azanium hydroxide?
The canonical SMILES for 4-hydroxybutyl(trimethyl)azanium hydroxide is C[N+](C)(C)CCCCO.[OH-].
What is the InChIKey of 4-hydroxybutyl(trimethyl)azanium hydroxide?
The InChIKey is YZHQBWDNOANICQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H2O/c1-8(2,3)6-4-5-7-9;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of 4-hydroxybutyl(trimethyl)azanium hydroxide?
4-hydroxybutyl(trimethyl)azanium hydroxide has a molecular weight of 149.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 13115255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).