[9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate

C299H585N7O25 — CID 158484679

About [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate

[9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate (PubChem CID 158484679) has the molecular formula C299H585N7O25 and a molecular weight of 4678.99 g/mol. Its IUPAC name is [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate.

Molecular Properties

• Compound Name: [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate
• PubChem CID: 158484679
• Molecular Formula: C299H585N7O25
• Molecular Weight: 4678.99 g/mol
• Exact Mass: 4675.47
• IUPAC Name: [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate
• SMILES: CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN(C)C.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN(C)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCCC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCCCC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCN(C)CC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCOCC1
• InChI: InChI=1S/C51H100N2O4.C51H99NO4.C50H97NO5.C50H97NO4.C49H97NO4.C48H95NO4/c1-6-10-22-33-48(34-23-11-7-2)45-50(54)56-43-28-20-16-14-18-26-31-47(37-30-38-53-41-39-52(5)40-42-53)32-27-19-15-17-21-29-44-57-51(55)46-49(35-24-12-8-3)36-25-13-9-4;1-5-9-22-35-48(36-23-10-6-2)45-50(53)55-43-30-19-15-13-17-26-33-47(39-32-42-52-40-28-21-29-41-52)34-27-18-14-16-20-31-44-56-51(54)46-49(37-24-11-7-3)38-25-12-8-4;1-5-9-21-32-47(33-22-10-6-2)44-49(52)55-40-27-19-15-13-17-25-30-46(36-29-37-51-38-42-54-43-39-51)31-26-18-14-16-20-28-41-56-50(53)45-48(34-23-11-7-3)35-24-12-8-4;1-5-9-21-34-47(35-22-10-6-2)44-49(52)54-42-29-19-15-13-17-25-32-46(38-31-41-51-39-27-28-40-51)33-26-18-14-16-20-30-43-55-50(53)45-48(36-23-11-7-3)37-24-12-8-4;1-7-12-24-35-46(36-25-13-8-2)43-48(51)53-41-30-22-18-16-20-28-33-45(39-32-40-50(6)11-5)34-29-21-17-19-23-31-42-54-49(52)44-47(37-26-14-9-3)38-27-15-10-4;1-7-11-23-34-45(35-24-12-8-2)42-47(50)52-40-29-21-17-15-19-27-32-44(38-31-39-49(5)6)33-28-20-16-18-22-30-41-53-48(51)43-46(36-25-13-9-3)37-26-14-10-4/h47-49H,6-46H2,1-5H3;47-49H,5-46H2,1-4H3;46-48H,5-45H2,1-4H3;46-48H,5-45H2,1-4H3;45-47H,7-44H2,1-6H3;44-46H,7-43H2,1-6H3
• InChIKey: HHYHJIYHKZWATP-UHFFFAOYSA-N
• XLogP: 90.26
• TPSA: 347.51 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 253
• Heavy Atoms: 331
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4678.99
LogP ≤ 5	90.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate?

The IUPAC name of [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate (CID 158484679) is [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate.

What is the SMILES notation for [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate?

The canonical SMILES for [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate is CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN(C)C.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN(C)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCCC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCCCC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCN(C)CC1.CCCCCC(CCCCC)CC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CC(CCCCC)CCCCC)CCCN1CCOCC1.

What is the InChIKey of [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate?

The InChIKey is HHYHJIYHKZWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H100N2O4.C51H99NO4.C50H97NO5.C50H97NO4.C49H97NO4.C48H95NO4/c1-6-10-22-33-48(34-23-11-7-2)45-50(54)56-43-28-20-16-14-18-26-31-47(37-30-38-53-41-39-52(5)40-42-53)32-27-19-15-17-21-29-44-57-51(55)46-49(35-24-12-8-3)36-25-13-9-4;1-5-9-22-35-48(36-23-10-6-2)45-50(53)55-43-30-19-15-13-17-26-33-47(39-32-42-52-40-28-21-29-41-52)34-27-18-14-16-20-31-44-56-51(54)46-49(37-24-11-7-3)38-25-12-8-4;1-5-9-21-32-47(33-22-10-6-2)44-49(52)55-40-27-19-15-13-17-25-30-46(36-29-37-51-38-42-54-43-39-51)31-26-18-14-16-20-28-41-56-50(53)45-48(34-23-11-7-3)35-24-12-8-4;1-5-9-21-34-47(35-22-10-6-2)44-49(52)54-42-29-19-15-13-17-25-32-46(38-31-41-51-39-27-28-40-51)33-26-18-14-16-20-30-43-55-50(53)45-48(36-23-11-7-3)37-24-12-8-4;1-7-12-24-35-46(36-25-13-8-2)43-48(51)53-41-30-22-18-16-20-28-33-45(39-32-40-50(6)11-5)34-29-21-17-19-23-31-42-54-49(52)44-47(37-26-14-9-3)38-27-15-10-4;1-7-11-23-34-45(35-24-12-8-2)42-47(50)52-40-29-21-17-15-19-27-32-44(38-31-39-49(5)6)33-28-20-16-18-22-30-41-53-48(51)43-46(36-25-13-9-3)37-26-14-10-4/h47-49H,6-46H2,1-5H3;47-49H,5-46H2,1-4H3;46-48H,5-45H2,1-4H3;46-48H,5-45H2,1-4H3;45-47H,7-44H2,1-6H3;44-46H,7-43H2,1-6H3.

What are the key properties of [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate?

[9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate has a molecular weight of 4678.99 g/mol, XLogP of 90.26, 253 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate is sourced from PubChem (CID 158484679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).