N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine

C310H624N20 — CID 158957331

IUPACN'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C82H165N5.C82H161N5.C76H153N5.C70H145N5/c2*1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(71-66-61-56-52-47-45-43-41-39-37-32-27-22-17-12-7-2)74-77-86-79-81-87(82-80-86)78-76-85(72-67-62-57-50-35-30-25-20-15-10-5)75-73-83(68-63-58-53-48-33-28-23-18-13-8-3)69-64-59-54-49-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-37-38-39-40-41-46-50-55-60-65-78(64-59-54-49-44-34-29-24-19-14-9-4)68-71-80-73-75-81(76-74-80)72-70-79(66-61-56-51-45-35-30-25-20-15-10-5)69-67-77(62-57-52-47-42-32-27-22-17-12-7-2)63-58-53-48-43-33-28-23-18-13-8-3;1-6-11-16-21-26-29-32-35-38-43-48-53-56-71(57-54-49-44-39-36-33-30-27-22-17-12-7-2)61-63-73(60-55-50-45-40-37-34-31-28-23-18-13-8-3)64-66-75-69-67-74(68-70-75)65-62-72(58-51-46-41-24-19-14-9-4)59-52-47-42-25-20-15-10-5/h38-41H,6-37,42-82H2,1-5H3;26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;26,31,37-38H,6-25,27-30,32-36,39-76H2,1-5H3;6-70H2,1-5H3/b40-38-,41-39-;31-26-,32-27-,40-38-,41-39-;31-26-,38-37-;
InChIKeyJMEAUOUNWSETFZ-OWWIAAQWSA-N
MW4632.54 g/mol
LogP94.37
Rot. Bonds278

About N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine

N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine (PubChem CID 158957331) has the molecular formula C310H624N20 and a molecular weight of 4632.54 g/mol. Its IUPAC name is N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
PubChem CID158957331
Molecular FormulaC310H624N20
Molecular Weight4632.54 g/mol
Exact Mass4628.94
IUPAC NameN'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C82H165N5.C82H161N5.C76H153N5.C70H145N5/c2*1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(71-66-61-56-52-47-45-43-41-39-37-32-27-22-17-12-7-2)74-77-86-79-81-87(82-80-86)78-76-85(72-67-62-57-50-35-30-25-20-15-10-5)75-73-83(68-63-58-53-48-33-28-23-18-13-8-3)69-64-59-54-49-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-37-38-39-40-41-46-50-55-60-65-78(64-59-54-49-44-34-29-24-19-14-9-4)68-71-80-73-75-81(76-74-80)72-70-79(66-61-56-51-45-35-30-25-20-15-10-5)69-67-77(62-57-52-47-42-32-27-22-17-12-7-2)63-58-53-48-43-33-28-23-18-13-8-3;1-6-11-16-21-26-29-32-35-38-43-48-53-56-71(57-54-49-44-39-36-33-30-27-22-17-12-7-2)61-63-73(60-55-50-45-40-37-34-31-28-23-18-13-8-3)64-66-75-69-67-74(68-70-75)65-62-72(58-51-46-41-24-19-14-9-4)59-52-47-42-25-20-15-10-5/h38-41H,6-37,42-82H2,1-5H3;26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;26,31,37-38H,6-25,27-30,32-36,39-76H2,1-5H3;6-70H2,1-5H3/b40-38-,41-39-;31-26-,32-27-,40-38-,41-39-;31-26-,38-37-;
InChIKeyJMEAUOUNWSETFZ-OWWIAAQWSA-N
XLogP94.37
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds278
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004632.54
LogP ≤ 594.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine (CID 158957331) is N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine is CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1.
What is the InChIKey of N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine?
The InChIKey is JMEAUOUNWSETFZ-OWWIAAQWSA-N. The full InChI is InChI=1S/C82H165N5.C82H161N5.C76H153N5.C70H145N5/c2*1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(71-66-61-56-52-47-45-43-41-39-37-32-27-22-17-12-7-2)74-77-86-79-81-87(82-80-86)78-76-85(72-67-62-57-50-35-30-25-20-15-10-5)75-73-83(68-63-58-53-48-33-28-23-18-13-8-3)69-64-59-54-49-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-37-38-39-40-41-46-50-55-60-65-78(64-59-54-49-44-34-29-24-19-14-9-4)68-71-80-73-75-81(76-74-80)72-70-79(66-61-56-51-45-35-30-25-20-15-10-5)69-67-77(62-57-52-47-42-32-27-22-17-12-7-2)63-58-53-48-43-33-28-23-18-13-8-3;1-6-11-16-21-26-29-32-35-38-43-48-53-56-71(57-54-49-44-39-36-33-30-27-22-17-12-7-2)61-63-73(60-55-50-45-40-37-34-31-28-23-18-13-8-3)64-66-75-69-67-74(68-70-75)65-62-72(58-51-46-41-24-19-14-9-4)59-52-47-42-25-20-15-10-5/h38-41H,6-37,42-82H2,1-5H3;26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;26,31,37-38H,6-25,27-30,32-36,39-76H2,1-5H3;6-70H2,1-5H3/b40-38-,41-39-;31-26-,32-27-,40-38-,41-39-;31-26-,38-37-;.
What are the key properties of N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine?
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine has a molecular weight of 4632.54 g/mol, XLogP of 94.37, 278 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 158957331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).