butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium

C101H178N7O8+7 — CID 163980733

IUPACbutyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOCc1ccccc1.CCC[N+](CC)(CCC)CCOCc1ccccc1.CC[N+](CC)(CC)CCOCCc1ccccc1.CC[N+](CC)(CC)CCOCc1ccccc1.C[N+](C)(C)CCOCCc1ccccc1.C[N+](C)(C)CCOCc1ccccc1
InChIInChI=1S/C18H32NO.C17H30NO.C16H28NO.C15H26NO.C13H22NO.C12H20NO.C10H20NO2/c1-4-7-14-19(6-3,13-5-2)15-16-20-17-18-11-9-8-10-12-18;1-4-12-18(6-3,13-5-2)14-15-19-16-17-10-8-7-9-11-17;1-4-17(5-2,6-3)13-15-18-14-12-16-10-8-7-9-11-16;1-4-16(5-2,6-3)12-13-17-14-15-10-8-7-9-11-15;1-14(2,3)10-12-15-11-9-13-7-5-4-6-8-13;1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;1-9(2)10(12)13-8-6-7-11(3,4)5/h8-12H,4-7,13-17H2,1-3H3;7-11H,4-6,12-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-14H2,1-3H3;4-8H,9-12H2,1-3H3;4-8H,9-11H2,1-3H3;1,6-8H2,2-5H3/q7*+1
InChIKeySYDQACOSIIYRLW-UHFFFAOYSA-N
MW1618.58 g/mol
LogP19.38
Rot. Bonds54

About butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium

butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium (PubChem CID 163980733) has the molecular formula C101H178N7O8+7 and a molecular weight of 1618.58 g/mol. Its IUPAC name is butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium.

Molecular Properties

Compound Namebutyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium
PubChem CID163980733
Molecular FormulaC101H178N7O8+7
Molecular Weight1618.58 g/mol
Exact Mass1617.37
IUPAC Namebutyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOCc1ccccc1.CCC[N+](CC)(CCC)CCOCc1ccccc1.CC[N+](CC)(CC)CCOCCc1ccccc1.CC[N+](CC)(CC)CCOCc1ccccc1.C[N+](C)(C)CCOCCc1ccccc1.C[N+](C)(C)CCOCc1ccccc1
InChIInChI=1S/C18H32NO.C17H30NO.C16H28NO.C15H26NO.C13H22NO.C12H20NO.C10H20NO2/c1-4-7-14-19(6-3,13-5-2)15-16-20-17-18-11-9-8-10-12-18;1-4-12-18(6-3,13-5-2)14-15-19-16-17-10-8-7-9-11-17;1-4-17(5-2,6-3)13-15-18-14-12-16-10-8-7-9-11-16;1-4-16(5-2,6-3)12-13-17-14-15-10-8-7-9-11-15;1-14(2,3)10-12-15-11-9-13-7-5-4-6-8-13;1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;1-9(2)10(12)13-8-6-7-11(3,4)5/h8-12H,4-7,13-17H2,1-3H3;7-11H,4-6,12-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-14H2,1-3H3;4-8H,9-12H2,1-3H3;4-8H,9-11H2,1-3H3;1,6-8H2,2-5H3/q7*+1
InChIKeySYDQACOSIIYRLW-UHFFFAOYSA-N
XLogP19.38
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds54
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001618.58
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium with MolForge

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Related Compounds

benzyl-[3-(2-methylprop-2-enoyloxy)propyl]-dipropylazanium chloride
CID 87839799
2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium;2-[(E)-but-2-enoyl]oxyethyl-ethyl-dipropylazanium;2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium
CID 162025909
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(phenylmethoxymethyl)azanium
CID 174680990
2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 159173358
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
benzyl 2-methylprop-2-enoate;butane
CID 174907722
(4-dodecylphenyl)methyl-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 3023415
2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 90442636
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium?
The IUPAC name of butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium (CID 163980733) is butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium.
What is the SMILES notation for butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium?
The canonical SMILES for butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium is C=C(C)C(=O)OCCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOCc1ccccc1.CCC[N+](CC)(CCC)CCOCc1ccccc1.CC[N+](CC)(CC)CCOCCc1ccccc1.CC[N+](CC)(CC)CCOCc1ccccc1.C[N+](C)(C)CCOCCc1ccccc1.C[N+](C)(C)CCOCc1ccccc1.
What is the InChIKey of butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium?
The InChIKey is SYDQACOSIIYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO.C17H30NO.C16H28NO.C15H26NO.C13H22NO.C12H20NO.C10H20NO2/c1-4-7-14-19(6-3,13-5-2)15-16-20-17-18-11-9-8-10-12-18;1-4-12-18(6-3,13-5-2)14-15-19-16-17-10-8-7-9-11-17;1-4-17(5-2,6-3)13-15-18-14-12-16-10-8-7-9-11-16;1-4-16(5-2,6-3)12-13-17-14-15-10-8-7-9-11-15;1-14(2,3)10-12-15-11-9-13-7-5-4-6-8-13;1-13(2,3)9-10-14-11-12-7-5-4-6-8-12;1-9(2)10(12)13-8-6-7-11(3,4)5/h8-12H,4-7,13-17H2,1-3H3;7-11H,4-6,12-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-14H2,1-3H3;4-8H,9-12H2,1-3H3;4-8H,9-11H2,1-3H3;1,6-8H2,2-5H3/q7*+1.
What are the key properties of butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium?
butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium has a molecular weight of 1618.58 g/mol, XLogP of 19.38, 54 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-(2-phenylmethoxyethyl)-propylazanium;ethyl-(2-phenylmethoxyethyl)-dipropylazanium;triethyl-[2-(2-phenylethoxy)ethyl]azanium;triethyl(2-phenylmethoxyethyl)azanium;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;trimethyl-[2-(2-phenylethoxy)ethyl]azanium;trimethyl(2-phenylmethoxyethyl)azanium is sourced from PubChem (CID 163980733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).