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

C85H170N6O12+6 — CID 159610142

IUPACbutyl-[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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCCC1
InChIInChI=1S/C17H34NO2.C16H32NO2.C15H30NO2.C14H28NO2.C12H24NO2.C11H22NO2/c1-4-7-13-18(6-3,12-5-2)14-15-20-17(19)16-10-8-9-11-16;1-4-11-17(6-3,12-5-2)13-14-19-16(18)15-9-7-8-10-15;1-4-16(5-2,6-3)12-13-18-15(17)14-10-8-7-9-11-14;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10/h16H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3/q6*+1
InChIKeyMMOYEDCAFMOAOR-UHFFFAOYSA-N
MW1468.32 g/mol
LogP15.97
Rot. Bonds41

About 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

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 (PubChem CID 159610142) has the molecular formula C85H170N6O12+6 and a molecular weight of 1468.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutyl-[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
PubChem CID159610142
Molecular FormulaC85H170N6O12+6
Molecular Weight1468.32 g/mol
Exact Mass1467.28
IUPAC Namebutyl-[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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCCC1
InChIInChI=1S/C17H34NO2.C16H32NO2.C15H30NO2.C14H28NO2.C12H24NO2.C11H22NO2/c1-4-7-13-18(6-3,12-5-2)14-15-20-17(19)16-10-8-9-11-16;1-4-11-17(6-3,12-5-2)13-14-19-16(18)15-9-7-8-10-15;1-4-16(5-2,6-3)12-13-18-15(17)14-10-8-7-9-11-14;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10/h16H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3/q6*+1
InChIKeyMMOYEDCAFMOAOR-UHFFFAOYSA-N
XLogP15.97
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.32
LogP ≤ 515.97
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'}

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Related Compounds

butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium
CID 157137117
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
butyl-(2-cyclohexyloxyethyl)-ethyl-propylazanium;butyl-(2-cyclopentyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-propylazanium;2-cyclohexyloxyethyl-ethyl-dipropylazanium;2-cyclohexyloxyethyl(triethyl)azanium;2-cyclohexyloxyethyl(trimethyl)azanium;2-cyclopentyloxyethyl-ethyl-dipropylazanium;2-cyclopentyloxyethyl(triethyl)azanium;2-cyclopentyloxyethyl(trimethyl)azanium;ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-dipropylazanium;triethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium
CID 159624200
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
nonyl cyclopentanecarboxylate
CID 575427
butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
CID 159096243
2-(adamantane-1-carbonyloxy)ethyl-butyl-ethyl-propylazanium;2-(adamantane-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-benzoyloxyethyl-butyl-ethyl-propylazanium;2-benzoyloxyethyl-ethyl-dipropylazanium;2-benzoyloxyethyl(triethyl)azanium;2-benzoyloxyethyl(trimethyl)azanium
CID 159190252
2-(1,1-dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
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-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959
2-[(4S)-bicyclo[2.2.1]heptane-2-carbonyl]oxyethyl-ethyl-dipropylazanium
CID 155170635

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CCC[N+](CC)(CCC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.CC[N+](CC)(CC)CCOC(=O)C1CCCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is MMOYEDCAFMOAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO2.C16H32NO2.C15H30NO2.C14H28NO2.C12H24NO2.C11H22NO2/c1-4-7-13-18(6-3,12-5-2)14-15-20-17(19)16-10-8-9-11-16;1-4-11-17(6-3,12-5-2)13-14-19-16(18)15-9-7-8-10-15;1-4-16(5-2,6-3)12-13-18-15(17)14-10-8-7-9-11-14;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10/h16H,4-15H2,1-3H3;15H,4-14H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3/q6*+1.
What are the key properties of 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?
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 has a molecular weight of 1468.32 g/mol, XLogP of 15.97, 41 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159610142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).