butyl(trimethyl)azanium;trimethylazanium;dihydroxide

C10H30N2O2 — CID 141377929

IUPACbutyl(trimethyl)azanium;trimethylazanium;dihydroxide
SMILESCCCC[N+](C)(C)C.C[NH+](C)C.[OH-].[OH-]
InChIInChI=1S/C7H18N.C3H9N.2H2O/c1-5-6-7-8(2,3)4;1-4(2)3;;/h5-7H2,1-4H3;1-3H3;2*1H2/q+1;;;/p-1
InChIKeyXLTSKMPZYFGHGX-UHFFFAOYSA-M
MW210.36 g/mol
LogP-0.10
Rot. Bonds3

About butyl(trimethyl)azanium;trimethylazanium;dihydroxide

butyl(trimethyl)azanium;trimethylazanium;dihydroxide (PubChem CID 141377929) has the molecular formula C10H30N2O2 and a molecular weight of 210.36 g/mol. Its IUPAC name is butyl(trimethyl)azanium;trimethylazanium;dihydroxide.

Molecular Properties

Compound Namebutyl(trimethyl)azanium;trimethylazanium;dihydroxide
PubChem CID141377929
Molecular FormulaC10H30N2O2
Molecular Weight210.36 g/mol
Exact Mass210.23
IUPAC Namebutyl(trimethyl)azanium;trimethylazanium;dihydroxide
SMILESCCCC[N+](C)(C)C.C[NH+](C)C.[OH-].[OH-]
InChIInChI=1S/C7H18N.C3H9N.2H2O/c1-5-6-7-8(2,3)4;1-4(2)3;;/h5-7H2,1-4H3;1-3H3;2*1H2/q+1;;;/p-1
InChIKeyXLTSKMPZYFGHGX-UHFFFAOYSA-M
XLogP-0.10
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 5-0.10
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

butyl(trimethyl)azanium;methanol
CID 159541051
icosyl(trimethyl)azanium hydroxide
CID 21324498
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide
CID 176898884
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247

Frequently Asked Questions

What is the IUPAC name of butyl(trimethyl)azanium;trimethylazanium;dihydroxide?
The IUPAC name of butyl(trimethyl)azanium;trimethylazanium;dihydroxide (CID 141377929) is butyl(trimethyl)azanium;trimethylazanium;dihydroxide.
What is the SMILES notation for butyl(trimethyl)azanium;trimethylazanium;dihydroxide?
The canonical SMILES for butyl(trimethyl)azanium;trimethylazanium;dihydroxide is CCCC[N+](C)(C)C.C[NH+](C)C.[OH-].[OH-].
What is the InChIKey of butyl(trimethyl)azanium;trimethylazanium;dihydroxide?
The InChIKey is XLTSKMPZYFGHGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.C3H9N.2H2O/c1-5-6-7-8(2,3)4;1-4(2)3;;/h5-7H2,1-4H3;1-3H3;2*1H2/q+1;;;/p-1.
What are the key properties of butyl(trimethyl)azanium;trimethylazanium;dihydroxide?
butyl(trimethyl)azanium;trimethylazanium;dihydroxide has a molecular weight of 210.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethyl)azanium;trimethylazanium;dihydroxide is sourced from PubChem (CID 141377929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).