4-hydroxybutyl(dimethyl)azanium chloride

C6H16ClNO — CID 174716092

IUPAC4-hydroxybutyl(dimethyl)azanium chloride
SMILESC[NH+](C)CCCCO.[Cl-]
InChIInChI=1S/C6H15NO.ClH/c1-7(2)5-3-4-6-8;/h8H,3-6H2,1-2H3;1H
InChIKeyHBDFAGUAYCDRDJ-UHFFFAOYSA-N
MW153.65 g/mol
LogP-4.09
Rot. Bonds4

About 4-hydroxybutyl(dimethyl)azanium chloride

4-hydroxybutyl(dimethyl)azanium chloride (PubChem CID 174716092) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 4-hydroxybutyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name4-hydroxybutyl(dimethyl)azanium chloride
PubChem CID174716092
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name4-hydroxybutyl(dimethyl)azanium chloride
SMILESC[NH+](C)CCCCO.[Cl-]
InChIInChI=1S/C6H15NO.ClH/c1-7(2)5-3-4-6-8;/h8H,3-6H2,1-2H3;1H
InChIKeyHBDFAGUAYCDRDJ-UHFFFAOYSA-N
XLogP-4.09
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 5-4.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
CID 87519961
dimethyl(tridecyl)azanium bromide
CID 87747637
dodecyl(dimethyl)azanium fluoride
CID 160570915
pentan-1-ol;yttrium
CID 154312100
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl(dimethyl)azanium chloride?
The IUPAC name of 4-hydroxybutyl(dimethyl)azanium chloride (CID 174716092) is 4-hydroxybutyl(dimethyl)azanium chloride.
What is the SMILES notation for 4-hydroxybutyl(dimethyl)azanium chloride?
The canonical SMILES for 4-hydroxybutyl(dimethyl)azanium chloride is C[NH+](C)CCCCO.[Cl-].
What is the InChIKey of 4-hydroxybutyl(dimethyl)azanium chloride?
The InChIKey is HBDFAGUAYCDRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-7(2)5-3-4-6-8;/h8H,3-6H2,1-2H3;1H.
What are the key properties of 4-hydroxybutyl(dimethyl)azanium chloride?
4-hydroxybutyl(dimethyl)azanium chloride has a molecular weight of 153.65 g/mol, XLogP of -4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl(dimethyl)azanium chloride is sourced from PubChem (CID 174716092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).