butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium

C109H262N11+11 — CID 162245053

IUPACbutyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)C.CCCCCCCCC[N+](C)(C)C.CCCCCCCC[N+](C)(C)C.CCCCCCC[N+](C)(C)C.CCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C.CCCC[N+](C)(C)CCCC.CCCC[N+](C)(CC)CC.CCCC[N+](C)(CC)CCCC.CCC[N+](C)(CCC)CCC.CC[N+](C)(CC)CC
InChIInChI=1S/C13H30N.C12H28N.2C11H26N.3C10H24N.2C9H22N.2C7H18N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11-12(2,3)4;1-5-8-10-12(4,7-3)11-9-6-2;1-5-6-7-8-9-10-11(2,3)4;1-5-7-9-11(3,4)10-8-6-2;1-5-8-11(4,9-6-2)10-7-3;1-5-6-7-8-9-10(2,3)4;1-5-8-9-10(4,6-2)7-3;1-5-6-7-8(2,3)4;1-5-8(4,6-2)7-3/h5-13H2,1-4H3;5-12H2,1-4H3;2*5-11H2,1-4H3;3*5-10H2,1-4H3;2*5-9H2,1-4H3;2*5-7H2,1-4H3/q11*+1
InChIKeyZXFKIBOVIJWKOV-UHFFFAOYSA-N
MW1727.37 g/mol
LogP28.90
Rot. Bonds65

About butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium

butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium (PubChem CID 162245053) has the molecular formula C109H262N11+11 and a molecular weight of 1727.37 g/mol. Its IUPAC name is butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium.

Molecular Properties

Compound Namebutyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium
PubChem CID162245053
Molecular FormulaC109H262N11+11
Molecular Weight1727.37 g/mol
Exact Mass1726.08
IUPAC Namebutyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)C.CCCCCCCCC[N+](C)(C)C.CCCCCCCC[N+](C)(C)C.CCCCCCC[N+](C)(C)C.CCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C.CCCC[N+](C)(C)CCCC.CCCC[N+](C)(CC)CC.CCCC[N+](C)(CC)CCCC.CCC[N+](C)(CCC)CCC.CC[N+](C)(CC)CC
InChIInChI=1S/C13H30N.C12H28N.2C11H26N.3C10H24N.2C9H22N.2C7H18N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11-12(2,3)4;1-5-8-10-12(4,7-3)11-9-6-2;1-5-6-7-8-9-10-11(2,3)4;1-5-7-9-11(3,4)10-8-6-2;1-5-8-11(4,9-6-2)10-7-3;1-5-6-7-8-9-10(2,3)4;1-5-8-9-10(4,6-2)7-3;1-5-6-7-8(2,3)4;1-5-8(4,6-2)7-3/h5-13H2,1-4H3;5-12H2,1-4H3;2*5-11H2,1-4H3;3*5-10H2,1-4H3;2*5-9H2,1-4H3;2*5-7H2,1-4H3/q11*+1
InChIKeyZXFKIBOVIJWKOV-UHFFFAOYSA-N
XLogP28.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds65
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001727.37
LogP ≤ 528.90
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'}

Analyze butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium with MolForge

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Related Compounds

dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
dimethyl(dioctyl)azanium;trimethyl(octadecyl)azanium;dibromide
CID 158508954
didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride
CID 157131807
dimethyl(dioctadecyl)azanium;trimethyl(octadecyl)azanium;dichloride
CID 140520120
ethyl-methyl-di(undecyl)azanium
CID 156729684
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
dodecyl-diethyl-methylazanium
CID 14494908
butyl-ethyl-methyl-pentylazanium
CID 87508333
hexyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 71341601
dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium chloride
CID 167995923
docosyl-diethyl-methylazanium chloride
CID 87975854
decyl-methyl-dipropylazanium bromide
CID 127262908

Frequently Asked Questions

What is the IUPAC name of butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium?
The IUPAC name of butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium (CID 162245053) is butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium.
What is the SMILES notation for butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium?
The canonical SMILES for butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium is CCCCCCCCCC[N+](C)(C)C.CCCCCCCCC[N+](C)(C)C.CCCCCCCC[N+](C)(C)C.CCCCCCC[N+](C)(C)C.CCCCCC[N+](C)(C)C.CCCC[N+](C)(C)C.CCCC[N+](C)(C)CCCC.CCCC[N+](C)(CC)CC.CCCC[N+](C)(CC)CCCC.CCC[N+](C)(CCC)CCC.CC[N+](C)(CC)CC.
What is the InChIKey of butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium?
The InChIKey is ZXFKIBOVIJWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N.C12H28N.2C11H26N.3C10H24N.2C9H22N.2C7H18N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11-12(2,3)4;1-5-8-10-12(4,7-3)11-9-6-2;1-5-6-7-8-9-10-11(2,3)4;1-5-7-9-11(3,4)10-8-6-2;1-5-8-11(4,9-6-2)10-7-3;1-5-6-7-8-9-10(2,3)4;1-5-8-9-10(4,6-2)7-3;1-5-6-7-8(2,3)4;1-5-8(4,6-2)7-3/h5-13H2,1-4H3;5-12H2,1-4H3;2*5-11H2,1-4H3;3*5-10H2,1-4H3;2*5-9H2,1-4H3;2*5-7H2,1-4H3/q11*+1.
What are the key properties of butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium?
butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium has a molecular weight of 1727.37 g/mol, XLogP of 28.90, 65 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium is sourced from PubChem (CID 162245053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).