dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

C68H126Li2N4O4 — CID 161387706

IUPACdilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILESC=CC(=C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+].[Li+]
InChIInChI=1S/C34H63N2O2.C19H36NO.C15H27NO.2Li/c1-9-10-11-12-22-34(24-15-21-33(4)30-38-28-17-26-36(7)8)23-14-19-31(2)18-13-20-32(3)29-37-27-16-25-35(5)6;1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5;;/h19-22H,2,9-18,23-30H2,1,3-8H3;12,14H,2,6-11,13,15-17H2,1,3-5H3;6,10H,1-2,7-9,11-13H2,3-5H3;;/q2*-1;;2*+1/b31-19-,32-20-,33-21-,34-22-;18-12-,19-14-;15-10-;;
InChIKeyZGDNVRZSVBDJBC-URFQTHFLSA-N
MW1077.66 g/mol
LogP10.88
Rot. Bonds48

About dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (PubChem CID 161387706) has the molecular formula C68H126Li2N4O4 and a molecular weight of 1077.66 g/mol. Its IUPAC name is dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namedilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
PubChem CID161387706
Molecular FormulaC68H126Li2N4O4
Molecular Weight1077.66 g/mol
Exact Mass1077.01
IUPAC Namedilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILESC=CC(=C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+].[Li+]
InChIInChI=1S/C34H63N2O2.C19H36NO.C15H27NO.2Li/c1-9-10-11-12-22-34(24-15-21-33(4)30-38-28-17-26-36(7)8)23-14-19-31(2)18-13-20-32(3)29-37-27-16-25-35(5)6;1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5;;/h19-22H,2,9-18,23-30H2,1,3-8H3;12,14H,2,6-11,13,15-17H2,1,3-5H3;6,10H,1-2,7-9,11-13H2,3-5H3;;/q2*-1;;2*+1/b31-19-,32-20-,33-21-,34-22-;18-12-,19-14-;15-10-;;
InChIKeyZGDNVRZSVBDJBC-URFQTHFLSA-N
XLogP10.88
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.66
LogP ≤ 510.88
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;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;N,N,N'-trimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 160753914
(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine
CID 167002713
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(E)-2-methyl-6-methylideneoct-2-enoxy]propyl]propane-1,3-diamine
CID 146551006
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
CID 156682915
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
3-methylidenetridec-1-ene
CID 3776253
28-hexylpentaconta-1,28-diene
CID 90932256
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
6-methyldocos-6-ene
CID 629460
7-methyloctadec-7-ene
CID 123477460
4-methylhexadec-4-ene
CID 174447790

Frequently Asked Questions

What is the IUPAC name of dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (CID 161387706) is dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is C=CC(=C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+].[Li+].
What is the InChIKey of dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ZGDNVRZSVBDJBC-URFQTHFLSA-N. The full InChI is InChI=1S/C34H63N2O2.C19H36NO.C15H27NO.2Li/c1-9-10-11-12-22-34(24-15-21-33(4)30-38-28-17-26-36(7)8)23-14-19-31(2)18-13-20-32(3)29-37-27-16-25-35(5)6;1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5;;/h19-22H,2,9-18,23-30H2,1,3-8H3;12,14H,2,6-11,13,15-17H2,1,3-5H3;6,10H,1-2,7-9,11-13H2,3-5H3;;/q2*-1;;2*+1/b31-19-,32-20-,33-21-,34-22-;18-12-,19-14-;15-10-;;.
What are the key properties of dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 1077.66 g/mol, XLogP of 10.88, 48 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;3-[(2Z,6Z,10Z)-10-[(Z)-5-[3-(dimethylamino)propoxy]-4-methylpent-3-enyl]-6-methanidyl-2-methylhexadeca-2,6,10-trienoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 161387706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).