(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine

C306H603N15 — CID 160736530

IUPAC(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H130N4.C63H124N4.C63H118N4.C39H81N.C39H77N.C39H73N/c3*1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-64(4)56-57-66-60-62-67(63-61-66)59-58-65(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;3*1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37-6-3)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h5-63H2,1-4H3;26-31H,5-25,32-63H2,1-4H3;17-22,26-31H,5-16,23-25,32-63H2,1-4H3;4-39H2,1-3H3;19-22H,4-18,23-39H2,1-3H3;13-16,19-22H,4-12,17-18,23-39H2,1-3H3/b;29-26-,30-27-,31-28-;20-17-,21-18-,22-19-,29-26-,30-27-,31-28-;;21-19-,22-20-;15-13-,16-14-,21-19-,22-20-
InChIKeyRVAHBWIIVMKXFB-AKBZHNIBSA-N
MW4493.30 g/mol
LogP98.17
Rot. Bonds264

About (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine

(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine (PubChem CID 160736530) has the molecular formula C306H603N15 and a molecular weight of 4493.30 g/mol. Its IUPAC name is (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine.

Molecular Properties

Compound Name(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine
PubChem CID160736530
Molecular FormulaC306H603N15
Molecular Weight4493.30 g/mol
Exact Mass4489.76
IUPAC Name(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H130N4.C63H124N4.C63H118N4.C39H81N.C39H77N.C39H73N/c3*1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-64(4)56-57-66-60-62-67(63-61-66)59-58-65(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;3*1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37-6-3)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h5-63H2,1-4H3;26-31H,5-25,32-63H2,1-4H3;17-22,26-31H,5-16,23-25,32-63H2,1-4H3;4-39H2,1-3H3;19-22H,4-18,23-39H2,1-3H3;13-16,19-22H,4-12,17-18,23-39H2,1-3H3/b;29-26-,30-27-,31-28-;20-17-,21-18-,22-19-,29-26-,30-27-,31-28-;;21-19-,22-20-;15-13-,16-14-,21-19-,22-20-
InChIKeyRVAHBWIIVMKXFB-AKBZHNIBSA-N
XLogP98.17
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds264
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004493.30
LogP ≤ 598.17
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 (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine?
The IUPAC name of (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine (CID 160736530) is (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine.
What is the SMILES notation for (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine?
The canonical SMILES for (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)CC1.CCCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCC/C=C\CCCCCCCC)CC1.CCCCCCCC/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCCCCN(C)CCN1CCN(CCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CC1.CCCCCCCCCCCCCCCCCCN(CCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine?
The InChIKey is RVAHBWIIVMKXFB-AKBZHNIBSA-N. The full InChI is InChI=1S/C63H130N4.C63H124N4.C63H118N4.C39H81N.C39H77N.C39H73N/c3*1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-64(4)56-57-66-60-62-67(63-61-66)59-58-65(54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;3*1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37-6-3)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h5-63H2,1-4H3;26-31H,5-25,32-63H2,1-4H3;17-22,26-31H,5-16,23-25,32-63H2,1-4H3;4-39H2,1-3H3;19-22H,4-18,23-39H2,1-3H3;13-16,19-22H,4-12,17-18,23-39H2,1-3H3/b;29-26-,30-27-,31-28-;20-17-,21-18-,22-19-,29-26-,30-27-,31-28-;;21-19-,22-20-;15-13-,16-14-,21-19-,22-20-.
What are the key properties of (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine?
(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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine has a molecular weight of 4493.30 g/mol, XLogP of 98.17, 264 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine is sourced from PubChem (CID 160736530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).