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

C300H585N15 — CID 159762910

IUPACN'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C100H205N5.C100H195N5.C100H185N5/c3*1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-86-101(87-82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)91-93-103(90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)94-96-105-99-97-104(98-100-105)95-92-102(88-83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4/h6-100H2,1-5H3;41-50H,6-40,51-100H2,1-5H3;26-35,41-50H,6-25,36-40,51-100H2,1-5H3/b;46-41-,47-42-,48-43-,49-44-,50-45-;31-26-,32-27-,33-28-,34-29-,35-30-,46-41-,47-42-,48-43-,49-44-,50-45-
InChIKeyNFCUFXSCKGKVQC-KDSXZSIBSA-N
MW4403.09 g/mol
LogP95.09
Rot. Bonds267

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

N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine (PubChem CID 159762910) has the molecular formula C300H585N15 and a molecular weight of 4403.09 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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine
PubChem CID159762910
Molecular FormulaC300H585N15
Molecular Weight4403.09 g/mol
Exact Mass4399.62
IUPAC NameN'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C100H205N5.C100H195N5.C100H185N5/c3*1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-86-101(87-82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)91-93-103(90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)94-96-105-99-97-104(98-100-105)95-92-102(88-83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4/h6-100H2,1-5H3;41-50H,6-40,51-100H2,1-5H3;26-35,41-50H,6-25,36-40,51-100H2,1-5H3/b;46-41-,47-42-,48-43-,49-44-,50-45-;31-26-,32-27-,33-28-,34-29-,35-30-,46-41-,47-42-,48-43-,49-44-,50-45-
InChIKeyNFCUFXSCKGKVQC-KDSXZSIBSA-N
XLogP95.09
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds267
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004403.09
LogP ≤ 595.09
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-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

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1-Undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
CID 68538173
1-[1-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]piperidin-4-yl]-4-methylpiperazine
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1-(1-Heptatriaconta-6,9,28,31-tetraen-19-ylpiperidin-4-yl)-4-methylpiperazine
CID 78109553
N-[2-[4-[2-[bis(octadec-9-enyl)amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine
CID 78136047
1-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]-4-(1-methylpiperidin-4-yl)piperazine
CID 86305156
(Z)-N-[2-[4-[2-[[(Z)-heptadec-9-enyl]-[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine
CID 89212214
(9Z,12Z)-N-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadeca-9,12-dien-1-amine
CID 89212220
(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine
CID 89212222
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine
CID 90208901
N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine
CID 90208902

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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine (CID 159762910) is N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-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(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCN(CCCCCCCCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine?
The InChIKey is NFCUFXSCKGKVQC-KDSXZSIBSA-N. The full InChI is InChI=1S/C100H205N5.C100H195N5.C100H185N5/c3*1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-86-101(87-82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)91-93-103(90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)94-96-105-99-97-104(98-100-105)95-92-102(88-83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4/h6-100H2,1-5H3;41-50H,6-40,51-100H2,1-5H3;26-35,41-50H,6-25,36-40,51-100H2,1-5H3/b;46-41-,47-42-,48-43-,49-44-,50-45-;31-26-,32-27-,33-28-,34-29-,35-30-,46-41-,47-42-,48-43-,49-44-,50-45-.
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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine?
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine has a molecular weight of 4403.09 g/mol, XLogP of 95.09, 267 rotatable bonds, 0 hydrogen bond donors, and 15 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'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine is sourced from PubChem (CID 159762910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).