butyl(trimethyl)azanium;methanol

C8H22NO+ — CID 159541051

IUPACbutyl(trimethyl)azanium;methanol
SMILESCCCC[N+](C)(C)C.CO
InChIInChI=1S/C7H18N.CH4O/c1-5-6-7-8(2,3)4;1-2/h5-7H2,1-4H3;2H,1H3/q+1;
InChIKeyMEFFULQLKPTDMB-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.10
Rot. Bonds3

About butyl(trimethyl)azanium;methanol

butyl(trimethyl)azanium;methanol (PubChem CID 159541051) has the molecular formula C8H22NO+ and a molecular weight of 148.27 g/mol. Its IUPAC name is butyl(trimethyl)azanium;methanol.

Molecular Properties

Compound Namebutyl(trimethyl)azanium;methanol
PubChem CID159541051
Molecular FormulaC8H22NO+
Molecular Weight148.27 g/mol
Exact Mass148.17
IUPAC Namebutyl(trimethyl)azanium;methanol
SMILESCCCC[N+](C)(C)C.CO
InChIInChI=1S/C7H18N.CH4O/c1-5-6-7-8(2,3)4;1-2/h5-7H2,1-4H3;2H,1H3/q+1;
InChIKeyMEFFULQLKPTDMB-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
butyl(trimethyl)azanium;phosphoric acid
CID 175165471
butyl(trimethyl)azanium;trimethylazanium;dihydroxide
CID 141377929
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(nonatetracontyl)azanium
CID 118223275
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247

Frequently Asked Questions

What is the IUPAC name of butyl(trimethyl)azanium;methanol?
The IUPAC name of butyl(trimethyl)azanium;methanol (CID 159541051) is butyl(trimethyl)azanium;methanol.
What is the SMILES notation for butyl(trimethyl)azanium;methanol?
The canonical SMILES for butyl(trimethyl)azanium;methanol is CCCC[N+](C)(C)C.CO.
What is the InChIKey of butyl(trimethyl)azanium;methanol?
The InChIKey is MEFFULQLKPTDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.CH4O/c1-5-6-7-8(2,3)4;1-2/h5-7H2,1-4H3;2H,1H3/q+1;.
What are the key properties of butyl(trimethyl)azanium;methanol?
butyl(trimethyl)azanium;methanol has a molecular weight of 148.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethyl)azanium;methanol is sourced from PubChem (CID 159541051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).