butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium

C121H170N6O12+6 — CID 161261398

IUPACbutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)c1cccc2ccccc12
InChIInChI=1S/2C22H32NO2.2C21H30NO2.C19H26NO2.C16H20NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-7-15-23(6-3,14-5-2)16-17-25-22(24)21-13-12-19-10-8-9-11-20(19)18-21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-22(6-3,14-5-2)15-16-24-21(23)20-12-11-18-9-7-8-10-19(18)17-20;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-17(2,3)11-12-19-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h8-14H,4-7,15-18H2,1-3H3;8-13,18H,4-7,14-17H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-12,17H,4-6,13-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;4-10H,11-12H2,1-3H3/q6*+1
InChIKeyVCPDESSYDVAFJQ-UHFFFAOYSA-N
MW1900.72 g/mol
LogP25.97
Rot. Bonds49

About butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium

butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium (PubChem CID 161261398) has the molecular formula C121H170N6O12+6 and a molecular weight of 1900.72 g/mol. Its IUPAC name is butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
PubChem CID161261398
Molecular FormulaC121H170N6O12+6
Molecular Weight1900.72 g/mol
Exact Mass1899.28
IUPAC Namebutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)c1cccc2ccccc12
InChIInChI=1S/2C22H32NO2.2C21H30NO2.C19H26NO2.C16H20NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-7-15-23(6-3,14-5-2)16-17-25-22(24)21-13-12-19-10-8-9-11-20(19)18-21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-22(6-3,14-5-2)15-16-24-21(23)20-12-11-18-9-7-8-10-19(18)17-20;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-17(2,3)11-12-19-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h8-14H,4-7,15-18H2,1-3H3;8-13,18H,4-7,14-17H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-12,17H,4-6,13-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;4-10H,11-12H2,1-3H3/q6*+1
InChIKeyVCPDESSYDVAFJQ-UHFFFAOYSA-N
XLogP25.97
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds49
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.72
LogP ≤ 525.97
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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Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The IUPAC name of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium (CID 161261398) is butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium.
What is the SMILES notation for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The canonical SMILES for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium is CCCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)c1ccc2ccccc2c1.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)c1cccc2ccccc12.
What is the InChIKey of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The InChIKey is VCPDESSYDVAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H32NO2.2C21H30NO2.C19H26NO2.C16H20NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-7-15-23(6-3,14-5-2)16-17-25-22(24)21-13-12-19-10-8-9-11-20(19)18-21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-22(6-3,14-5-2)15-16-24-21(23)20-12-11-18-9-7-8-10-19(18)17-20;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-17(2,3)11-12-19-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h8-14H,4-7,15-18H2,1-3H3;8-13,18H,4-7,14-17H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-12,17H,4-6,13-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;4-10H,11-12H2,1-3H3/q6*+1.
What are the key properties of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium has a molecular weight of 1900.72 g/mol, XLogP of 25.97, 49 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 161261398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).