tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate

C186H377N13O18 — CID 158574780

IUPACtridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate
SMILESCCCCCCCCCCCCCOC(=O)CCCCCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCCCCNCCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCN)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCNCCN(CC)CC)CCC(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C56H111N3O6.C41H82N2O4.C40H81N3O4.C25H52N2O2.C24H51N3O2/c1-6-11-14-17-20-23-26-29-32-35-38-51-63-54(60)41-44-58(45-42-55(61)64-52-39-36-33-30-27-24-21-18-15-12-7-2)49-50-59(48-47-57(9-4)10-5)46-43-56(62)65-53-40-37-34-31-28-25-22-19-16-13-8-3;1-5-9-11-13-15-17-19-21-23-25-30-38-46-40(44)32-28-27-29-34-43(37-36-42(7-3)8-4)35-33-41(45)47-39-31-26-24-22-20-18-16-14-12-10-6-2;1-5-9-11-13-15-17-19-21-23-25-27-37-46-39(44)29-33-43(36-32-41-31-35-42(7-3)8-4)34-30-40(45)47-38-28-26-24-22-20-18-16-14-12-10-6-2;1-4-7-8-9-10-11-12-13-14-15-19-24-29-25(28)20-17-16-18-21-26-22-23-27(5-2)6-3;1-4-7-8-9-10-11-12-13-14-15-16-23-29-24(28)17-19-27(20-18-25)22-21-26(5-2)6-3/h6-53H2,1-5H3;5-39H2,1-4H3;41H,5-38H2,1-4H3;26H,4-24H2,1-3H3;4-23,25H2,1-3H3
InChIKeyHSNHOJKFHBYODD-UHFFFAOYSA-N
MW3084.13 g/mol
LogP46.83
Rot. Bonds174

About tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate

tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate (PubChem CID 158574780) has the molecular formula C186H377N13O18 and a molecular weight of 3084.13 g/mol. Its IUPAC name is tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate.

Molecular Properties

Compound Nametridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate
PubChem CID158574780
Molecular FormulaC186H377N13O18
Molecular Weight3084.13 g/mol
Exact Mass3081.90
IUPAC Nametridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate
SMILESCCCCCCCCCCCCCOC(=O)CCCCCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCCCCNCCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCN)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCNCCN(CC)CC)CCC(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C56H111N3O6.C41H82N2O4.C40H81N3O4.C25H52N2O2.C24H51N3O2/c1-6-11-14-17-20-23-26-29-32-35-38-51-63-54(60)41-44-58(45-42-55(61)64-52-39-36-33-30-27-24-21-18-15-12-7-2)49-50-59(48-47-57(9-4)10-5)46-43-56(62)65-53-40-37-34-31-28-25-22-19-16-13-8-3;1-5-9-11-13-15-17-19-21-23-25-30-38-46-40(44)32-28-27-29-34-43(37-36-42(7-3)8-4)35-33-41(45)47-39-31-26-24-22-20-18-16-14-12-10-6-2;1-5-9-11-13-15-17-19-21-23-25-27-37-46-39(44)29-33-43(36-32-41-31-35-42(7-3)8-4)34-30-40(45)47-38-28-26-24-22-20-18-16-14-12-10-6-2;1-4-7-8-9-10-11-12-13-14-15-19-24-29-25(28)20-17-16-18-21-26-22-23-27(5-2)6-3;1-4-7-8-9-10-11-12-13-14-15-16-23-29-24(28)17-19-27(20-18-25)22-21-26(5-2)6-3/h6-53H2,1-5H3;5-39H2,1-4H3;41H,5-38H2,1-4H3;26H,4-24H2,1-3H3;4-23,25H2,1-3H3
InChIKeyHSNHOJKFHBYODD-UHFFFAOYSA-N
XLogP46.83
TPSA319.18 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds174
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003084.13
LogP ≤ 546.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate with MolForge

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Related Compounds

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CID 58105644
methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate
CID 158409373
methyl 3-[2-aminoethyl(hexyl)amino]propanoate;methyl 6-(5-aminopentylamino)hexanoate;methyl 6-[5-[(3-methoxy-3-oxopropyl)amino]pentylamino]hexanoate
CID 157083550
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CID 58105631
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CID 88604290
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CID 130238352
methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate
CID 158814150
3-(diethylamino)propyl octadecanoate
CID 139896219
dodecyl 4-[4-[[3-[bis(4-dodecoxy-4-oxobutyl)amino]-2-hydroxypropyl]-tetradecylamino]butyl-tetradecylamino]butanoate;dodecyl 4-[(4-dodecoxy-4-oxobutyl)-[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]amino]butanoate;ethane
CID 159054804
methyl 3-[2-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-ethylamino]ethyl-ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
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CID 168894562

Frequently Asked Questions

What is the IUPAC name of tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate?
The IUPAC name of tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate (CID 158574780) is tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate.
What is the SMILES notation for tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate?
The canonical SMILES for tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate is CCCCCCCCCCCCCOC(=O)CCCCCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCCCCNCCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCC)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCN)CCN(CC)CC.CCCCCCCCCCCCCOC(=O)CCN(CCNCCN(CC)CC)CCC(=O)OCCCCCCCCCCCCC.
What is the InChIKey of tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate?
The InChIKey is HSNHOJKFHBYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H111N3O6.C41H82N2O4.C40H81N3O4.C25H52N2O2.C24H51N3O2/c1-6-11-14-17-20-23-26-29-32-35-38-51-63-54(60)41-44-58(45-42-55(61)64-52-39-36-33-30-27-24-21-18-15-12-7-2)49-50-59(48-47-57(9-4)10-5)46-43-56(62)65-53-40-37-34-31-28-25-22-19-16-13-8-3;1-5-9-11-13-15-17-19-21-23-25-30-38-46-40(44)32-28-27-29-34-43(37-36-42(7-3)8-4)35-33-41(45)47-39-31-26-24-22-20-18-16-14-12-10-6-2;1-5-9-11-13-15-17-19-21-23-25-27-37-46-39(44)29-33-43(36-32-41-31-35-42(7-3)8-4)34-30-40(45)47-38-28-26-24-22-20-18-16-14-12-10-6-2;1-4-7-8-9-10-11-12-13-14-15-19-24-29-25(28)20-17-16-18-21-26-22-23-27(5-2)6-3;1-4-7-8-9-10-11-12-13-14-15-16-23-29-24(28)17-19-27(20-18-25)22-21-26(5-2)6-3/h6-53H2,1-5H3;5-39H2,1-4H3;41H,5-38H2,1-4H3;26H,4-24H2,1-3H3;4-23,25H2,1-3H3.
What are the key properties of tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate?
tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate has a molecular weight of 3084.13 g/mol, XLogP of 46.83, 174 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate is sourced from PubChem (CID 158574780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).