N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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

C256H509N15 — CID 160731211

IUPACN'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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)CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C88H175N5.C88H169N5.C80H165N5/c2*1-6-11-16-21-26-31-36-39-42-45-48-51-56-61-66-69-74-89(75-70-67-62-57-52-49-46-43-40-37-32-27-22-17-12-7-2)79-81-91(78-73-68-63-58-53-50-47-44-41-38-33-28-23-18-13-8-3)82-84-93-87-85-92(86-88-93)83-80-90(76-71-64-59-54-34-29-24-19-14-9-4)77-72-65-60-55-35-30-25-20-15-10-5;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/h39-44H,6-38,45-88H2,1-5H3;26-28,31-33,39-44H,6-25,29-30,34-38,45-88H2,1-5H3;6-80H2,1-5H3/b42-39-,43-40-,44-41-;31-26-,32-27-,33-28-,42-39-,43-40-,44-41-;
InChIKeyRUJBVIVLQYNNER-RBALKIFQSA-N
MW3797.99 g/mol
LogP79.27
Rot. Bonds229

About N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 160731211) has the molecular formula C256H509N15 and a molecular weight of 3797.99 g/mol. Its IUPAC name is N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 CID160731211
Molecular FormulaC256H509N15
Molecular Weight3797.99 g/mol
Exact Mass3795.03
IUPAC NameN'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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)CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)CC1
InChIInChI=1S/C88H175N5.C88H169N5.C80H165N5/c2*1-6-11-16-21-26-31-36-39-42-45-48-51-56-61-66-69-74-89(75-70-67-62-57-52-49-46-43-40-37-32-27-22-17-12-7-2)79-81-91(78-73-68-63-58-53-50-47-44-41-38-33-28-23-18-13-8-3)82-84-93-87-85-92(86-88-93)83-80-90(76-71-64-59-54-34-29-24-19-14-9-4)77-72-65-60-55-35-30-25-20-15-10-5;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/h39-44H,6-38,45-88H2,1-5H3;26-28,31-33,39-44H,6-25,29-30,34-38,45-88H2,1-5H3;6-80H2,1-5H3/b42-39-,43-40-,44-41-;31-26-,32-27-,33-28-,42-39-,43-40-,44-41-;
InChIKeyRUJBVIVLQYNNER-RBALKIFQSA-N
XLogP79.27
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds229
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003797.99
LogP ≤ 579.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 160731211) is N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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)CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)CC1.
What is the InChIKey of N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 RUJBVIVLQYNNER-RBALKIFQSA-N. The full InChI is InChI=1S/C88H175N5.C88H169N5.C80H165N5/c2*1-6-11-16-21-26-31-36-39-42-45-48-51-56-61-66-69-74-89(75-70-67-62-57-52-49-46-43-40-37-32-27-22-17-12-7-2)79-81-91(78-73-68-63-58-53-50-47-44-41-38-33-28-23-18-13-8-3)82-84-93-87-85-92(86-88-93)83-80-90(76-71-64-59-54-34-29-24-19-14-9-4)77-72-65-60-55-35-30-25-20-15-10-5;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/h39-44H,6-38,45-88H2,1-5H3;26-28,31-33,39-44H,6-25,29-30,34-38,45-88H2,1-5H3;6-80H2,1-5H3/b42-39-,43-40-,44-41-;31-26-,32-27-,33-28-,42-39-,43-40-,44-41-;.
What are the key properties of N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 3797.99 g/mol, XLogP of 79.27, 229 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]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 160731211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).