4-hydroxybutyl(trimethyl)azanium

C7H18NO+ — CID 3082058

IUPAC4-hydroxybutyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCO
InChIInChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyWZENRHJTCWKPAZ-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.47
Rot. Bonds4

About 4-hydroxybutyl(trimethyl)azanium

4-hydroxybutyl(trimethyl)azanium (PubChem CID 3082058) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is 4-hydroxybutyl(trimethyl)azanium.

Molecular Properties

Compound Name4-hydroxybutyl(trimethyl)azanium
PubChem CID3082058
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Name4-hydroxybutyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCO
InChIInChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyWZENRHJTCWKPAZ-UHFFFAOYSA-N
XLogP0.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl(trimethyl)azanium?
The IUPAC name of 4-hydroxybutyl(trimethyl)azanium (CID 3082058) is 4-hydroxybutyl(trimethyl)azanium.
What is the SMILES notation for 4-hydroxybutyl(trimethyl)azanium?
The canonical SMILES for 4-hydroxybutyl(trimethyl)azanium is C[N+](C)(C)CCCCO.
What is the InChIKey of 4-hydroxybutyl(trimethyl)azanium?
The InChIKey is WZENRHJTCWKPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1.
What are the key properties of 4-hydroxybutyl(trimethyl)azanium?
4-hydroxybutyl(trimethyl)azanium has a molecular weight of 132.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl(trimethyl)azanium is sourced from PubChem (CID 3082058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).