(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine

C66H129N — CID 87119903

IUPAC(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN(CCCCCCCCCCCC/C=C\CCCCCCCC)CCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C66H129N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-66H2,1-3H3/b28-25-,29-26-,30-27-
InChIKeyAOAPWLQTXLISNY-IUPFWZBJSA-N
MW936.76 g/mol
LogP24.08
Rot. Bonds60

About (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine

(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine (PubChem CID 87119903) has the molecular formula C66H129N and a molecular weight of 936.76 g/mol. Its IUPAC name is (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
PubChem CID87119903
Molecular FormulaC66H129N
Molecular Weight936.76 g/mol
Exact Mass936.01
IUPAC Name(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN(CCCCCCCCCCCC/C=C\CCCCCCCC)CCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C66H129N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-66H2,1-3H3/b28-25-,29-26-,30-27-
InChIKeyAOAPWLQTXLISNY-IUPFWZBJSA-N
XLogP24.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds60
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.76
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine with MolForge

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Related Compounds

(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407
N'-hexadecyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
CID 175236523
2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol
CID 87291099
N,N'-bis(3-aminopropyl)-N,N'-bis(nonadec-9-enyl)butane-1,4-diamine
CID 76557641
N,N-dimethyl-N'-[(E)-octadec-9-enyl]-N'-octylethane-1,2-diamine
CID 71498362
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
CID 89212218
3-[bis[(Z)-octadec-9-enyl]amino]propan-1-ol;hydrochloride
CID 175960878
(E)-N,N-diethylheptadec-4-en-1-amine
CID 102116402
2-[2-hydroxyethyl(octadec-9-enyl)amino]ethanol;phosphorous acid
CID 173340696
3-[bis(icosa-11,14-dienyl)amino]propan-1-ol
CID 123864221
2-[[(9Z,12Z)-octadeca-9,12-dienyl]-octylamino]ethanol
CID 155275750

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine?
The IUPAC name of (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine (CID 87119903) is (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine.
What is the SMILES notation for (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine?
The canonical SMILES for (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine is CCCCCCCC/C=C\CCCCCCCCCCCCN(CCCCCCCCCCCC/C=C\CCCCCCCC)CCCCCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine?
The InChIKey is AOAPWLQTXLISNY-IUPFWZBJSA-N. The full InChI is InChI=1S/C66H129N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-66H2,1-3H3/b28-25-,29-26-,30-27-.
What are the key properties of (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine?
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine has a molecular weight of 936.76 g/mol, XLogP of 24.08, 60 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine is sourced from PubChem (CID 87119903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).