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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine

C308H628N20 — CID 162118326

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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C82H161N5.C80H165N5.C76H157N5.C70H145N5/c1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(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;1-6-11-16-21-26-31-36-41-46-51-56-61-66-81(67-62-57-52-47-42-37-32-27-22-17-12-7-2)71-73-83(70-65-60-55-50-45-40-35-30-25-20-15-10-5)74-76-85-79-77-84(78-80-85)75-72-82(68-63-58-53-48-43-38-33-28-23-18-13-8-3)69-64-59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-39-44-49-54-57-62-77(63-58-55-50-45-40-37-32-27-22-17-12-7-2)67-69-79(66-61-56-51-46-41-38-33-28-23-18-13-8-3)70-72-81-75-73-80(74-76-81)71-68-78(64-59-52-47-42-34-29-24-19-14-9-4)65-60-53-48-43-35-30-25-20-15-10-5;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/h26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;6-80H2,1-5H3;6-76H2,1-5H3;6-70H2,1-5H3/b31-26-,32-27-,40-38-,41-39-;;;
InChIKeyZHBKPCWWGYVYHI-BSBOIWCOSA-N
MW4612.55 g/mol
LogP94.48
Rot. Bonds280

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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine (PubChem CID 162118326) has the molecular formula C308H628N20 and a molecular weight of 4612.55 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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine
PubChem CID162118326
Molecular FormulaC308H628N20
Molecular Weight4612.55 g/mol
Exact Mass4608.98
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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C82H161N5.C80H165N5.C76H157N5.C70H145N5/c1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(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;1-6-11-16-21-26-31-36-41-46-51-56-61-66-81(67-62-57-52-47-42-37-32-27-22-17-12-7-2)71-73-83(70-65-60-55-50-45-40-35-30-25-20-15-10-5)74-76-85-79-77-84(78-80-85)75-72-82(68-63-58-53-48-43-38-33-28-23-18-13-8-3)69-64-59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-39-44-49-54-57-62-77(63-58-55-50-45-40-37-32-27-22-17-12-7-2)67-69-79(66-61-56-51-46-41-38-33-28-23-18-13-8-3)70-72-81-75-73-80(74-76-81)71-68-78(64-59-52-47-42-34-29-24-19-14-9-4)65-60-53-48-43-35-30-25-20-15-10-5;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/h26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;6-80H2,1-5H3;6-76H2,1-5H3;6-70H2,1-5H3/b31-26-,32-27-,40-38-,41-39-;;;
InChIKeyZHBKPCWWGYVYHI-BSBOIWCOSA-N
XLogP94.48
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds280
Heavy Atoms328
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004612.55
LogP ≤ 594.48
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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine with MolForge

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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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine (CID 162118326) 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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine?
The InChIKey is ZHBKPCWWGYVYHI-BSBOIWCOSA-N. The full InChI is InChI=1S/C82H161N5.C80H165N5.C76H157N5.C70H145N5/c1-6-11-16-21-26-31-36-38-40-42-44-46-51-55-60-65-70-84(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;1-6-11-16-21-26-31-36-41-46-51-56-61-66-81(67-62-57-52-47-42-37-32-27-22-17-12-7-2)71-73-83(70-65-60-55-50-45-40-35-30-25-20-15-10-5)74-76-85-79-77-84(78-80-85)75-72-82(68-63-58-53-48-43-38-33-28-23-18-13-8-3)69-64-59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-39-44-49-54-57-62-77(63-58-55-50-45-40-37-32-27-22-17-12-7-2)67-69-79(66-61-56-51-46-41-38-33-28-23-18-13-8-3)70-72-81-75-73-80(74-76-81)71-68-78(64-59-52-47-42-34-29-24-19-14-9-4)65-60-53-48-43-35-30-25-20-15-10-5;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/h26-27,31-32,38-41H,6-25,28-30,33-37,42-82H2,1-5H3;6-80H2,1-5H3;6-76H2,1-5H3;6-70H2,1-5H3/b31-26-,32-27-,40-38-,41-39-;;;.
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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine has a molecular weight of 4612.55 g/mol, XLogP of 94.48, 280 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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-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'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine is sourced from PubChem (CID 162118326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).