2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium

C83H178N6O12+6 — CID 164959500

IUPAC2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium
SMILESCCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](C)(C)C.CCCCC(=O)OCC[N+](CC)(CC)CC.CCCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)CCC
InChIInChI=1S/C16H34NO2.2C15H32NO2.C14H30NO2.C13H28NO2.C10H22NO2/c1-5-9-11-16(18)19-15-14-17(8-4,12-7-3)13-10-6-2;1-5-9-10-15(17)18-14-13-16(8-4,11-6-2)12-7-3;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-10-13(15)16-12-11-14(6-2,7-3)8-4;1-5-6-7-10(12)13-9-8-11(2,3)4/h5-15H2,1-4H3;2*5-14H2,1-4H3;5-13H2,1-4H3;5-12H2,1-4H3;5-9H2,1-4H3/q6*+1
InChIKeyBQEOBMPFANPUQF-UHFFFAOYSA-N
MW1452.37 g/mol
LogP17.53
Rot. Bonds59

About 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium

2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium (PubChem CID 164959500) has the molecular formula C83H178N6O12+6 and a molecular weight of 1452.37 g/mol. Its IUPAC name is 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium.

Molecular Properties

Compound Name2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium
PubChem CID164959500
Molecular FormulaC83H178N6O12+6
Molecular Weight1452.37 g/mol
Exact Mass1451.35
IUPAC Name2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium
SMILESCCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](C)(C)C.CCCCC(=O)OCC[N+](CC)(CC)CC.CCCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)CCC
InChIInChI=1S/C16H34NO2.2C15H32NO2.C14H30NO2.C13H28NO2.C10H22NO2/c1-5-9-11-16(18)19-15-14-17(8-4,12-7-3)13-10-6-2;1-5-9-10-15(17)18-14-13-16(8-4,11-6-2)12-7-3;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-10-13(15)16-12-11-14(6-2,7-3)8-4;1-5-6-7-10(12)13-9-8-11(2,3)4/h5-15H2,1-4H3;2*5-14H2,1-4H3;5-13H2,1-4H3;5-12H2,1-4H3;5-9H2,1-4H3/q6*+1
InChIKeyBQEOBMPFANPUQF-UHFFFAOYSA-N
XLogP17.53
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds59
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.37
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium with MolForge

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Related Compounds

2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;2-butanoyloxyethyl(triethyl)azanium;2-butanoyloxyethyl(trimethyl)azanium;butyl-ethyl-(2-propanoyloxyethyl)-propylazanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium
CID 158368875
tributyl(2-hexadecanoyloxyethyl)azanium
CID 10951736
butyl-[2-(cyclopentanecarbonyloxy)ethyl]-ethyl-propylazanium;2-(cyclohexanecarbonyloxy)ethyl-triethylazanium;2-(cyclohexanecarbonyloxy)ethyl-trimethylazanium;2-(cyclopentanecarbonyloxy)ethyl-ethyl-dipropylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium
CID 159610142
2-dodecanoyloxyethyl-diethyl-tetradecylazanium chloride
CID 14625534
trimethyl(2-octadecanoyloxyethyl)azanium;hydroiodide
CID 133108690
butyl-(2-carbamoyloxyethyl)-ethyl-propylazanium;butyl-[2-(dimethylcarbamoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoyloxy)ethyl]-propylazanium;2-(dimethylcarbamoyloxy)ethyl-ethyl-dipropylazanium;2-(dimethylcarbamoyloxy)ethyl-triethylazanium;2-(dimethylcarbamoyloxy)ethyl-trimethylazanium;ethyl-[2-(methylcarbamoyloxy)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoyloxy)ethyl]azanium;trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium
CID 157350640
(S)-2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium
CID 170124321
trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium;hydrochloride
CID 133112697
3-dodecanoyloxypropyl(trimethyl)azanium
CID 11111693
bis(2-benzoyloxyethyl-butyl-ethyl-propylazanium);2-benzoyloxyethyl-ethyl-dipropylazanium;2-benzoyloxyethyl(triethyl)azanium;bis(2-benzoyloxyethyl(trimethyl)azanium);methanamine;methanol;nitromethane
CID 160589246
2-(2-dodecanoyloxyethoxy)ethyl-dodecyl-diethylazanium
CID 45110851
2-benzoyloxyethyl-butyl-ethyl-propylazanium;2-benzoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-2-carbonyloxy)ethyl]azanium
CID 167553483

Frequently Asked Questions

What is the IUPAC name of 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium?
The IUPAC name of 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium (CID 164959500) is 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium.
What is the SMILES notation for 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium?
The canonical SMILES for 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium is CCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](C)(C)C.CCCCC(=O)OCC[N+](CC)(CC)CC.CCCCC(=O)OCC[N+](CC)(CCC)CCC.CCCCC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)CCC.
What is the InChIKey of 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium?
The InChIKey is BQEOBMPFANPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO2.2C15H32NO2.C14H30NO2.C13H28NO2.C10H22NO2/c1-5-9-11-16(18)19-15-14-17(8-4,12-7-3)13-10-6-2;1-5-9-10-15(17)18-14-13-16(8-4,11-6-2)12-7-3;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-5-9-10-13(15)16-12-11-14(6-2,7-3)8-4;1-5-6-7-10(12)13-9-8-11(2,3)4/h5-15H2,1-4H3;2*5-14H2,1-4H3;5-13H2,1-4H3;5-12H2,1-4H3;5-9H2,1-4H3/q6*+1.
What are the key properties of 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium?
2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium has a molecular weight of 1452.37 g/mol, XLogP of 17.53, 59 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium is sourced from PubChem (CID 164959500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).