2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate

C319H637N25O17 — CID 159752990

IUPAC2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate
SMILESCCCCCCCCCC(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCC(=O)OCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCC(=O)OCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCC(CN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCC(=O)OCCCCC)CCCC(=O)OCCCCC)CC1
InChIInChI=1S/C56H112N4O2.C55H107N5O6.C55H112N4O.C54H105N5O6.C54H110N4O.C45H91N3O/c1-6-11-16-21-26-31-36-41-54(42-37-32-27-22-17-12-7-2)43-47-58(46-40-35-30-25-20-15-10-5)53-56(62)60-50-48-59(49-51-60)55(61)52-57(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-37-56(38-29-26-23-20-17-12-7-2)42-43-58(39-30-27-24-21-18-13-8-3)51-53(62)60-46-44-59(45-47-60)52(61)50-57(40-33-35-54(63)65-48-31-14-9-4)41-34-36-55(64)66-49-32-15-10-5;1-6-11-16-21-26-31-36-43-56(44-37-32-27-22-17-12-7-2)48-41-54-42-49-59(52-54)55(60)53-58(47-40-35-30-25-20-15-10-5)51-50-57(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-36-55(39-32-34-54(63)65-48-31-14-9-4)41-42-57(38-30-27-24-21-18-13-8-3)50-52(61)59-45-43-58(44-46-59)51(60)49-56(37-29-26-23-20-17-12-7-2)40-33-35-53(62)64-47-15-10-5;1-6-11-16-21-26-31-36-42-55(43-37-32-27-22-17-12-7-2)48-49-57(46-40-35-30-25-20-15-10-5)52-54(59)58-47-41-53(51-58)50-56(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-5-9-13-17-21-25-29-36-46(37-30-26-22-18-14-10-6-2)40-33-44-34-41-48(42-35-44)45(49)43-47(38-31-27-23-19-15-11-7-3)39-32-28-24-20-16-12-8-4/h54H,6-53H2,1-5H3;6-51H2,1-5H3;54H,6-53H2,1-5H3;6-50H2,1-5H3;53H,6-52H2,1-5H3;44H,5-43H2,1-4H3
InChIKeyNDWUAOCHUJTCSC-UHFFFAOYSA-N
MW5095.76 g/mol
LogP83.69
Rot. Bonds272

About 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate

2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate (PubChem CID 159752990) has the molecular formula C319H637N25O17 and a molecular weight of 5095.76 g/mol. Its IUPAC name is 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate.

Molecular Properties

Compound Name2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate
PubChem CID159752990
Molecular FormulaC319H637N25O17
Molecular Weight5095.76 g/mol
Exact Mass5091.97
IUPAC Name2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate
SMILESCCCCCCCCCC(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCC(=O)OCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCC(=O)OCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCC(CN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCC(=O)OCCCCC)CCCC(=O)OCCCCC)CC1
InChIInChI=1S/C56H112N4O2.C55H107N5O6.C55H112N4O.C54H105N5O6.C54H110N4O.C45H91N3O/c1-6-11-16-21-26-31-36-41-54(42-37-32-27-22-17-12-7-2)43-47-58(46-40-35-30-25-20-15-10-5)53-56(62)60-50-48-59(49-51-60)55(61)52-57(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-37-56(38-29-26-23-20-17-12-7-2)42-43-58(39-30-27-24-21-18-13-8-3)51-53(62)60-46-44-59(45-47-60)52(61)50-57(40-33-35-54(63)65-48-31-14-9-4)41-34-36-55(64)66-49-32-15-10-5;1-6-11-16-21-26-31-36-43-56(44-37-32-27-22-17-12-7-2)48-41-54-42-49-59(52-54)55(60)53-58(47-40-35-30-25-20-15-10-5)51-50-57(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-36-55(39-32-34-54(63)65-48-31-14-9-4)41-42-57(38-30-27-24-21-18-13-8-3)50-52(61)59-45-43-58(44-46-59)51(60)49-56(37-29-26-23-20-17-12-7-2)40-33-35-53(62)64-47-15-10-5;1-6-11-16-21-26-31-36-42-55(43-37-32-27-22-17-12-7-2)48-49-57(46-40-35-30-25-20-15-10-5)52-54(59)58-47-41-53(51-58)50-56(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-5-9-13-17-21-25-29-36-46(37-30-26-22-18-14-10-6-2)40-33-44-34-41-48(42-35-44)45(49)43-47(38-31-27-23-19-15-11-7-3)39-32-28-24-20-16-12-8-4/h54H,6-53H2,1-5H3;6-51H2,1-5H3;54H,6-53H2,1-5H3;6-50H2,1-5H3;53H,6-52H2,1-5H3;44H,5-43H2,1-4H3
InChIKeyNDWUAOCHUJTCSC-UHFFFAOYSA-N
XLogP83.69
TPSA339.83 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds272
Heavy Atoms361
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005095.76
LogP ≤ 583.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate with MolForge

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Related Compounds

heptyl 6-[2-[1-[4-[3-[di(nonyl)amino]propyl]tridecanoyl]pyrrolidin-3-yl]ethyl-tetradecylamino]hexanoate
CID 168924638
2-[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperidin-3-yl]ethyl 2-[di(nonyl)amino]acetate;2-[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl]ethyl 2-[di(nonyl)amino]acetate;[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl]methyl 2-[di(nonyl)amino]acetate;heptyl 6-[[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl]methyl-tetradecylamino]hexanoate;pentyl 8-[[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]pyrrolidin-3-yl]methyl-tetradecylamino]octanoate
CID 161289296
tert-butyl (3S)-3-[2-[nonyl-(4-oxo-4-pentoxybutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 135380236
pentyl 4-[3-[1-[3-[2-[di(nonyl)amino]ethyl-nonylamino]propanoyl]piperidin-4-yl]propyl-octylamino]butanoate
CID 139547436
1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]ethanone
CID 170756932
tert-butyl 4-[2-[nonyl-(4-oxo-4-pentoxybutyl)amino]ethyl]piperidine-1-carboxylate
CID 129293457
2-[2-[decyl(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 162463057
pentyl 4-[decyl-[4-[4-[4-[decyl-(4-oxo-4-pentoxybutyl)amino]butanoyl]piperazin-1-yl]-4-oxobutyl]amino]butanoate
CID 142498838
1-[2-[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperidin-3-yl]ethyl-nonylamino]decan-4-one
CID 166893913
tert-butyl 4-[2-[3-hexanoyloxypropyl(nonyl)amino]ethyl]piperidine-1-carboxylate
CID 129286620
3-pentyloctyl 9-[4-(4-bromobutanoyloxy)butyl-[9-oxo-9-(3-pentyloctoxy)nonyl]amino]nonanoate
CID 177226782
2-[2-[1-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperidin-3-yl]ethyl-tetradecylamino]dodecanoic acid
CID 175887045

Frequently Asked Questions

What is the IUPAC name of 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate?
The IUPAC name of 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate (CID 159752990) is 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate.
What is the SMILES notation for 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate?
The canonical SMILES for 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate is CCCCCCCCCC(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCC(=O)OCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCC(=O)OCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCC(CN(CCCCCCCCC)CCCCCCCCC)C1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCC(=O)OCCCCC)CCCC(=O)OCCCCC)CC1.
What is the InChIKey of 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate?
The InChIKey is NDWUAOCHUJTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H112N4O2.C55H107N5O6.C55H112N4O.C54H105N5O6.C54H110N4O.C45H91N3O/c1-6-11-16-21-26-31-36-41-54(42-37-32-27-22-17-12-7-2)43-47-58(46-40-35-30-25-20-15-10-5)53-56(62)60-50-48-59(49-51-60)55(61)52-57(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-37-56(38-29-26-23-20-17-12-7-2)42-43-58(39-30-27-24-21-18-13-8-3)51-53(62)60-46-44-59(45-47-60)52(61)50-57(40-33-35-54(63)65-48-31-14-9-4)41-34-36-55(64)66-49-32-15-10-5;1-6-11-16-21-26-31-36-43-56(44-37-32-27-22-17-12-7-2)48-41-54-42-49-59(52-54)55(60)53-58(47-40-35-30-25-20-15-10-5)51-50-57(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-19-22-25-28-36-55(39-32-34-54(63)65-48-31-14-9-4)41-42-57(38-30-27-24-21-18-13-8-3)50-52(61)59-45-43-58(44-46-59)51(60)49-56(37-29-26-23-20-17-12-7-2)40-33-35-53(62)64-47-15-10-5;1-6-11-16-21-26-31-36-42-55(43-37-32-27-22-17-12-7-2)48-49-57(46-40-35-30-25-20-15-10-5)52-54(59)58-47-41-53(51-58)50-56(44-38-33-28-23-18-13-8-3)45-39-34-29-24-19-14-9-4;1-5-9-13-17-21-25-29-36-46(37-30-26-22-18-14-10-6-2)40-33-44-34-41-48(42-35-44)45(49)43-47(38-31-27-23-19-15-11-7-3)39-32-28-24-20-16-12-8-4/h54H,6-53H2,1-5H3;6-51H2,1-5H3;54H,6-53H2,1-5H3;6-50H2,1-5H3;53H,6-52H2,1-5H3;44H,5-43H2,1-4H3.
What are the key properties of 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate?
2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate has a molecular weight of 5095.76 g/mol, XLogP of 83.69, 272 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(nonyl)amino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[2-[di(nonyl)amino]ethyl]pyrrolidin-1-yl]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[3-[[di(nonyl)amino]methyl]pyrrolidin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[nonyl(3-nonyldodecyl)amino]acetyl]piperazin-1-yl]ethanone;pentyl 4-[2-[[2-[4-[2-[(4-butoxy-4-oxobutyl)-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-nonylamino]ethyl-nonylamino]butanoate;pentyl 4-[[2-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]-(4-oxo-4-pentoxybutyl)amino]butanoate is sourced from PubChem (CID 159752990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).