(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

C62H122N4 — CID 89212214

IUPAC(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
SMILESCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(C)CCCCCCCC/C=C\CCCCCCCC)CC1
InChIInChI=1S/C62H122N4/c1-5-8-11-14-17-20-23-26-29-32-34-37-40-43-46-49-52-63(4)55-56-65-59-61-66(62-60-65)58-57-64(53-50-47-44-41-38-35-31-28-25-22-19-16-13-10-7-3)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h25-30H,5-24,31-62H2,1-4H3/b28-25-,29-26-,30-27-
InChIKeyRUWNFLJQLNHBMK-IUPFWZBJSA-N
MW923.69 g/mol
LogP18.56
Rot. Bonds53

About (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

(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 (PubChem CID 89212214) has the molecular formula C62H122N4 and a molecular weight of 923.69 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89212214
Molecular FormulaC62H122N4
Molecular Weight923.69 g/mol
Exact Mass922.97
IUPAC Name(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
SMILESCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(C)CCCCCCCC/C=C\CCCCCCCC)CC1
InChIInChI=1S/C62H122N4/c1-5-8-11-14-17-20-23-26-29-32-34-37-40-43-46-49-52-63(4)55-56-65-59-61-66(62-60-65)58-57-64(53-50-47-44-41-38-35-31-28-25-22-19-16-13-10-7-3)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h25-30H,5-24,31-62H2,1-4H3/b28-25-,29-26-,30-27-
InChIKeyRUWNFLJQLNHBMK-IUPFWZBJSA-N
XLogP18.56
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds53
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.69
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCN1CCN(CCN(C)CCCCCCCC/C=C\CCCCCCCC)CC1.
What is the InChIKey of (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?
The InChIKey is RUWNFLJQLNHBMK-IUPFWZBJSA-N. The full InChI is InChI=1S/C62H122N4/c1-5-8-11-14-17-20-23-26-29-32-34-37-40-43-46-49-52-63(4)55-56-65-59-61-66(62-60-65)58-57-64(53-50-47-44-41-38-35-31-28-25-22-19-16-13-10-7-3)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h25-30H,5-24,31-62H2,1-4H3/b28-25-,29-26-,30-27-.
What are the key properties of (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?
(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 has a molecular weight of 923.69 g/mol, XLogP of 18.56, 53 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 89212214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).