butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium

C115H166N6O12+6 — CID 159512259

IUPACbutyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1c2ccccc2-c2ccccc21.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21.C[N+](C)(C)CCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H28NO2.C21H34NO2.C20H32NO2.C19H22NO2.C18H28NO2.C15H22NO2/c1-4-23(5-2,6-3)15-16-25-22(24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;1-4-7-15-22(6-3,14-5-2)16-17-24-21(23)20-13-12-18-10-8-9-11-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-20(2,3)12-13-22-19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h7-14,21H,4-6,15-16H2,1-3H3;8-11,20H,4-7,12-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;4-11,18H,12-13H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1
InChIKeyMATDUIBERBHLMY-UHFFFAOYSA-N
MW1824.62 g/mol
LogP20.59
Rot. Bonds41

About butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium

butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium (PubChem CID 159512259) has the molecular formula C115H166N6O12+6 and a molecular weight of 1824.62 g/mol. Its IUPAC name is butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium
PubChem CID159512259
Molecular FormulaC115H166N6O12+6
Molecular Weight1824.62 g/mol
Exact Mass1823.25
IUPAC Namebutyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1c2ccccc2-c2ccccc21.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21.C[N+](C)(C)CCOC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H28NO2.C21H34NO2.C20H32NO2.C19H22NO2.C18H28NO2.C15H22NO2/c1-4-23(5-2,6-3)15-16-25-22(24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;1-4-7-15-22(6-3,14-5-2)16-17-24-21(23)20-13-12-18-10-8-9-11-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-20(2,3)12-13-22-19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h7-14,21H,4-6,15-16H2,1-3H3;8-11,20H,4-7,12-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;4-11,18H,12-13H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1
InChIKeyMATDUIBERBHLMY-UHFFFAOYSA-N
XLogP20.59
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.62
LogP ≤ 520.59
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 butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium?
The IUPAC name of butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium (CID 159512259) is butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium.
What is the SMILES notation for butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium?
The canonical SMILES for butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium is CCCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)C1c2ccccc2-c2ccccc21.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21.C[N+](C)(C)CCOC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium?
The InChIKey is MATDUIBERBHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28NO2.C21H34NO2.C20H32NO2.C19H22NO2.C18H28NO2.C15H22NO2/c1-4-23(5-2,6-3)15-16-25-22(24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21;1-4-7-15-22(6-3,14-5-2)16-17-24-21(23)20-13-12-18-10-8-9-11-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-20(2,3)12-13-22-19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h7-14,21H,4-6,15-16H2,1-3H3;8-11,20H,4-7,12-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;4-11,18H,12-13H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1.
What are the key properties of butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium?
butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium has a molecular weight of 1824.62 g/mol, XLogP of 20.59, 41 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl]-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;2-(9H-fluorene-9-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(9H-fluorene-9-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 159512259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).