lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

C19H36LiNO — CID 156682918

IUPAClithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;/h12,14H,2,6-11,13,15-17H2,1,3-5H3;/q-1;+1/b18-12-,19-14-;
InChIKeyDPUMZHQEJHCWGD-MYQGOODGSA-N
MW301.44 g/mol
LogP2.03
Rot. Bonds13

About lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (PubChem CID 156682918) has the molecular formula C19H36LiNO and a molecular weight of 301.44 g/mol. Its IUPAC name is lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namelithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
PubChem CID156682918
Molecular FormulaC19H36LiNO
Molecular Weight301.44 g/mol
Exact Mass301.30
IUPAC Namelithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+]
InChIInChI=1S/C19H36NO.Li/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;/h12,14H,2,6-11,13,15-17H2,1,3-5H3;/q-1;+1/b18-12-,19-14-;
InChIKeyDPUMZHQEJHCWGD-MYQGOODGSA-N
XLogP2.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-dien-1-amine
CID 44440595
(4E,8E)-10-hexoxy-N,N,4,8-tetramethyl-deca-4,8-dien-1-amine
CID 16729186
N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
CID 139501884
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
N,N-dimethyl-3-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
CID 154986319
lithium 3-[(2E,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 155617683
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
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
3-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
CID 170054251

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (CID 156682918) is lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is [CH2-]/C(=C/CCCCC)CC/C=C(/C)COCCCN(C)C.[Li+].
What is the InChIKey of lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is DPUMZHQEJHCWGD-MYQGOODGSA-N. The full InChI is InChI=1S/C19H36NO.Li/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5;/h12,14H,2,6-11,13,15-17H2,1,3-5H3;/q-1;+1/b18-12-,19-14-;.
What are the key properties of lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 301.44 g/mol, XLogP of 2.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 156682918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).