butyl(trimethyl)azanium;trimethyl(octyl)azanium

C18H44N2+2 — CID 87103767

IUPACbutyl(trimethyl)azanium;trimethyl(octyl)azanium
SMILESCCCCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C
InChIInChI=1S/C11H26N.C7H18N/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-6-7-8(2,3)4/h5-11H2,1-4H3;5-7H2,1-4H3/q2*+1
InChIKeyGBTYHKWBYNTBPH-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.55
Rot. Bonds10

About butyl(trimethyl)azanium;trimethyl(octyl)azanium

butyl(trimethyl)azanium;trimethyl(octyl)azanium (PubChem CID 87103767) has the molecular formula C18H44N2+2 and a molecular weight of 288.56 g/mol. Its IUPAC name is butyl(trimethyl)azanium;trimethyl(octyl)azanium.

Molecular Properties

Compound Namebutyl(trimethyl)azanium;trimethyl(octyl)azanium
PubChem CID87103767
Molecular FormulaC18H44N2+2
Molecular Weight288.56 g/mol
Exact Mass288.35
IUPAC Namebutyl(trimethyl)azanium;trimethyl(octyl)azanium
SMILESCCCCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C
InChIInChI=1S/C11H26N.C7H18N/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-6-7-8(2,3)4/h5-11H2,1-4H3;5-7H2,1-4H3/q2*+1
InChIKeyGBTYHKWBYNTBPH-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of butyl(trimethyl)azanium;trimethyl(octyl)azanium?
The IUPAC name of butyl(trimethyl)azanium;trimethyl(octyl)azanium (CID 87103767) is butyl(trimethyl)azanium;trimethyl(octyl)azanium.
What is the SMILES notation for butyl(trimethyl)azanium;trimethyl(octyl)azanium?
The canonical SMILES for butyl(trimethyl)azanium;trimethyl(octyl)azanium is CCCCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C.
What is the InChIKey of butyl(trimethyl)azanium;trimethyl(octyl)azanium?
The InChIKey is GBTYHKWBYNTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N.C7H18N/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-6-7-8(2,3)4/h5-11H2,1-4H3;5-7H2,1-4H3/q2*+1.
What are the key properties of butyl(trimethyl)azanium;trimethyl(octyl)azanium?
butyl(trimethyl)azanium;trimethyl(octyl)azanium has a molecular weight of 288.56 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethyl)azanium;trimethyl(octyl)azanium is sourced from PubChem (CID 87103767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).