N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine

C254H526N20 — CID 162129934

IUPACN'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
SMILESCCCCC/C=C\CCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCC)CCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCC)CCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C70H143N5.C64H133N5.C62H129N5.C58H121N5/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-63-73(60-55-50-45-40-35-30-25-20-15-10-5)64-66-75-69-67-74(68-70-75)65-62-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-42-47-50-65(51-48-43-38-33-30-27-22-17-12-7-2)55-57-67(54-49-44-39-34-31-28-23-18-13-8-3)58-60-69-63-61-68(62-64-69)59-56-66(52-45-40-35-24-19-14-9-4)53-46-41-36-25-20-15-10-5;1-6-11-16-21-26-29-32-35-40-45-50-63(51-46-41-36-33-30-27-22-17-12-7-2)53-55-65(52-47-42-37-34-31-28-23-18-13-8-3)56-58-67-61-59-66(60-62-67)57-54-64(48-43-38-24-19-14-9-4)49-44-39-25-20-15-10-5;1-6-11-16-21-24-27-30-33-36-41-46-60(47-42-37-34-31-28-25-22-17-12-7-2)49-51-61(48-43-38-35-32-29-26-23-18-13-8-3)52-54-63-57-55-62(56-58-63)53-50-59(44-39-19-14-9-4)45-40-20-15-10-5/h28,33H,6-27,29-32,34-70H2,1-5H3;6-64H2,1-5H3;6-62H2,1-5H3;6-58H2,1-5H3/b33-28-;;;
InChIKeyZINKXLBOIVPNEE-IAAXBOQLSA-N
MW3861.14 g/mol
LogP74.09
Rot. Bonds229

About N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine

N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine (PubChem CID 162129934) has the molecular formula C254H526N20 and a molecular weight of 3861.14 g/mol. Its IUPAC name is N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
PubChem CID162129934
Molecular FormulaC254H526N20
Molecular Weight3861.14 g/mol
Exact Mass3858.18
IUPAC NameN'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
SMILESCCCCC/C=C\CCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCC)CCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCC)CCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C70H143N5.C64H133N5.C62H129N5.C58H121N5/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-63-73(60-55-50-45-40-35-30-25-20-15-10-5)64-66-75-69-67-74(68-70-75)65-62-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-42-47-50-65(51-48-43-38-33-30-27-22-17-12-7-2)55-57-67(54-49-44-39-34-31-28-23-18-13-8-3)58-60-69-63-61-68(62-64-69)59-56-66(52-45-40-35-24-19-14-9-4)53-46-41-36-25-20-15-10-5;1-6-11-16-21-26-29-32-35-40-45-50-63(51-46-41-36-33-30-27-22-17-12-7-2)53-55-65(52-47-42-37-34-31-28-23-18-13-8-3)56-58-67-61-59-66(60-62-67)57-54-64(48-43-38-24-19-14-9-4)49-44-39-25-20-15-10-5;1-6-11-16-21-24-27-30-33-36-41-46-60(47-42-37-34-31-28-25-22-17-12-7-2)49-51-61(48-43-38-35-32-29-26-23-18-13-8-3)52-54-63-57-55-62(56-58-63)53-50-59(44-39-19-14-9-4)45-40-20-15-10-5/h28,33H,6-27,29-32,34-70H2,1-5H3;6-64H2,1-5H3;6-62H2,1-5H3;6-58H2,1-5H3/b33-28-;;;
InChIKeyZINKXLBOIVPNEE-IAAXBOQLSA-N
XLogP74.09
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds229
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003861.14
LogP ≤ 574.09
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-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine?
The IUPAC name of N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine (CID 162129934) is N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine is CCCCC/C=C\CCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCC)CCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCC)CCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCC)CCCCCCCCC)CC1.
What is the InChIKey of N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine?
The InChIKey is ZINKXLBOIVPNEE-IAAXBOQLSA-N. The full InChI is InChI=1S/C70H143N5.C64H133N5.C62H129N5.C58H121N5/c1-6-11-16-21-26-31-36-41-46-51-56-71(57-52-47-42-37-32-27-22-17-12-7-2)61-63-73(60-55-50-45-40-35-30-25-20-15-10-5)64-66-75-69-67-74(68-70-75)65-62-72(58-53-48-43-38-33-28-23-18-13-8-3)59-54-49-44-39-34-29-24-19-14-9-4;1-6-11-16-21-26-29-32-37-42-47-50-65(51-48-43-38-33-30-27-22-17-12-7-2)55-57-67(54-49-44-39-34-31-28-23-18-13-8-3)58-60-69-63-61-68(62-64-69)59-56-66(52-45-40-35-24-19-14-9-4)53-46-41-36-25-20-15-10-5;1-6-11-16-21-26-29-32-35-40-45-50-63(51-46-41-36-33-30-27-22-17-12-7-2)53-55-65(52-47-42-37-34-31-28-23-18-13-8-3)56-58-67-61-59-66(60-62-67)57-54-64(48-43-38-24-19-14-9-4)49-44-39-25-20-15-10-5;1-6-11-16-21-24-27-30-33-36-41-46-60(47-42-37-34-31-28-25-22-17-12-7-2)49-51-61(48-43-38-35-32-29-26-23-18-13-8-3)52-54-63-57-55-62(56-58-63)53-50-59(44-39-19-14-9-4)45-40-20-15-10-5/h28,33H,6-27,29-32,34-70H2,1-5H3;6-64H2,1-5H3;6-62H2,1-5H3;6-58H2,1-5H3/b33-28-;;;.
What are the key properties of N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine?
N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine has a molecular weight of 3861.14 g/mol, XLogP of 74.09, 229 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-(dihexylamino)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'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(dioctylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[[(Z)-dodec-6-enyl]-dodecylamino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine is sourced from PubChem (CID 162129934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).