dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine

C68H122Li2N8 — CID 157262097

IUPACdilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
SMILESC=CC(=C)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+].[Li+]
InChIInChI=1S/C34H61N4.C19H35N2.C15H26N2.2Li/c1-7-8-9-10-18-34(20-13-17-33(4)30-38-27-23-36(6)24-28-38)19-12-15-31(2)14-11-16-32(3)29-37-25-21-35(5)22-26-37;1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17;;/h15-18H,2,7-14,19-30H2,1,3-6H3;10,12H,2,5-9,11,13-17H2,1,3-4H3;5,8H,1-2,6-7,9-13H2,3-4H3;;/q2*-1;;2*+1/b31-15-,32-16-,33-17-,34-18-;18-10-,19-12-;15-8-;;
InChIKeyODPALDDWHVFLIC-UJPYQMRVSA-N
MW1065.66 g/mol
LogP7.99
Rot. Bonds32

About dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine

dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine (PubChem CID 157262097) has the molecular formula C68H122Li2N8 and a molecular weight of 1065.66 g/mol. Its IUPAC name is dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine.

Molecular Properties

Compound Namedilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
PubChem CID157262097
Molecular FormulaC68H122Li2N8
Molecular Weight1065.66 g/mol
Exact Mass1065.01
IUPAC Namedilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
SMILESC=CC(=C)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+].[Li+]
InChIInChI=1S/C34H61N4.C19H35N2.C15H26N2.2Li/c1-7-8-9-10-18-34(20-13-17-33(4)30-38-27-23-36(6)24-28-38)19-12-15-31(2)14-11-16-32(3)29-37-25-21-35(5)22-26-37;1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17;;/h15-18H,2,7-14,19-30H2,1,3-6H3;10,12H,2,5-9,11,13-17H2,1,3-4H3;5,8H,1-2,6-7,9-13H2,3-4H3;;/q2*-1;;2*+1/b31-15-,32-16-,33-17-,34-18-;18-10-,19-12-;15-8-;;
InChIKeyODPALDDWHVFLIC-UJPYQMRVSA-N
XLogP7.99
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.66
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine with MolForge

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Related Compounds

lithium;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 158727078
lithium;1-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 158727079
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]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'-tri(tetradecyl)ethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 158957331
N'-[2-[4-[2-[bis[(Z)-dodec-6-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N,N,N'-tridodecyl-N'-[2-[4-[2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 159860734
lithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 161595408
lithium;1-[(2E,6Z,9Z,13E)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-methyl-4-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 161595409
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N'-[2-[4-[2-[di(nonyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine;N'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine
CID 162118326
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

Frequently Asked Questions

What is the IUPAC name of dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The IUPAC name of dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine (CID 157262097) is dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine.
What is the SMILES notation for dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The canonical SMILES for dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine is C=CC(=C)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1)CC/C=C(/C)CN1CCN(C)CC1.[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+].[Li+].
What is the InChIKey of dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The InChIKey is ODPALDDWHVFLIC-UJPYQMRVSA-N. The full InChI is InChI=1S/C34H61N4.C19H35N2.C15H26N2.2Li/c1-7-8-9-10-18-34(20-13-17-33(4)30-38-27-23-36(6)24-28-38)19-12-15-31(2)14-11-16-32(3)29-37-25-21-35(5)22-26-37;1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17;;/h15-18H,2,7-14,19-30H2,1,3-6H3;10,12H,2,5-9,11,13-17H2,1,3-4H3;5,8H,1-2,6-7,9-13H2,3-4H3;;/q2*-1;;2*+1/b31-15-,32-16-,33-17-,34-18-;18-10-,19-12-;15-8-;;.
What are the key properties of dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine has a molecular weight of 1065.66 g/mol, XLogP of 7.99, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine;1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine;1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine is sourced from PubChem (CID 157262097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).