lithium 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

C34H63LiN2O2 — CID 156682910

IUPAClithium 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
SMILES[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[Li+]
InChIInChI=1S/C34H63N2O2.Li/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;/h19-22H,2,9-18,23-30H2,1,3-8H3;/q-1;+1/b31-19-,32-20-,33-21-,34-22-;
InChIKeyZFTFCLCPHCFSCU-NYHJVJOOSA-N
MW538.83 g/mol
LogP5.43
Rot. Bonds25

About lithium 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

lithium 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 (PubChem CID 156682910) has the molecular formula C34H63LiN2O2 and a molecular weight of 538.83 g/mol. Its IUPAC name is lithium 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.

Molecular Properties

Compound Namelithium 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
PubChem CID156682910
Molecular FormulaC34H63LiN2O2
Molecular Weight538.83 g/mol
Exact Mass538.50
IUPAC Namelithium 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
SMILES[CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[Li+]
InChIInChI=1S/C34H63N2O2.Li/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;/h19-22H,2,9-18,23-30H2,1,3-8H3;/q-1;+1/b31-19-,32-20-,33-21-,34-22-;
InChIKeyZFTFCLCPHCFSCU-NYHJVJOOSA-N
XLogP5.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.83
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze lithium 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 with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 139502223
N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine
CID 146551805
lithium 3-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 153293926
lithium 3-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 155617683
lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 156682918
lithium;N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;3-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 158338833
lithium;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 158338834
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
3-[(2Z,6E)-6-(iodomethyl)-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 170054254
CID 173887143
CID 173887143
CID 173943115
CID 173943115
CID 173990408
CID 173990408

Frequently Asked Questions

What is the IUPAC name of lithium 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?
The IUPAC name of lithium 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 (CID 156682910) is lithium 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.
What is the SMILES notation for lithium 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?
The canonical SMILES for lithium 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 is [CH2-]/C(=C/CC/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C)CC/C=C(/C)COCCCN(C)C.[Li+].
What is the InChIKey of lithium 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?
The InChIKey is ZFTFCLCPHCFSCU-NYHJVJOOSA-N. The full InChI is InChI=1S/C34H63N2O2.Li/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;/h19-22H,2,9-18,23-30H2,1,3-8H3;/q-1;+1/b31-19-,32-20-,33-21-,34-22-;.
What are the key properties of lithium 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?
lithium 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 has a molecular weight of 538.83 g/mol, XLogP of 5.43, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 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 is sourced from PubChem (CID 156682910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).