lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine

C18H32LiNO — CID 156682915

IUPAClithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCOCC1.[Li+]
InChIInChI=1S/C18H32NO.Li/c1-4-5-6-7-9-17(2)10-8-11-18(3)16-19-12-14-20-15-13-19;/h9,11H,2,4-8,10,12-16H2,1,3H3;/q-1;+1/b17-9-,18-11-;
InChIKeyRALAENIPDMRBLK-AXJLBUQOSA-N
MW285.40 g/mol
LogP1.39
Rot. Bonds9

About lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine

lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine (PubChem CID 156682915) has the molecular formula C18H32LiNO and a molecular weight of 285.40 g/mol. Its IUPAC name is lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine.

Molecular Properties

Compound Namelithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
PubChem CID156682915
Molecular FormulaC18H32LiNO
Molecular Weight285.40 g/mol
Exact Mass285.26
IUPAC Namelithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCOCC1.[Li+]
InChIInChI=1S/C18H32NO.Li/c1-4-5-6-7-9-17(2)10-8-11-18(3)16-19-12-14-20-15-13-19;/h9,11H,2,4-8,10,12-16H2,1,3H3;/q-1;+1/b17-9-,18-11-;
InChIKeyRALAENIPDMRBLK-AXJLBUQOSA-N
XLogP1.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.39
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 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine 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

4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
CID 154986326
1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
CID 54272275
1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
4-[(Z)-non-2-enyl]morpholine
CID 101051916
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methyl-1,4-diazepane
CID 170054378
2-morpholin-4-ylundec-2-en-6-one
CID 57160366
(E)-9-methylnonadec-9-ene
CID 14783585
4-methylhexadec-4-ene
CID 174447790
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine?
The IUPAC name of lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine (CID 156682915) is lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine.
What is the SMILES notation for lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine?
The canonical SMILES for lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine is [CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCOCC1.[Li+].
What is the InChIKey of lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine?
The InChIKey is RALAENIPDMRBLK-AXJLBUQOSA-N. The full InChI is InChI=1S/C18H32NO.Li/c1-4-5-6-7-9-17(2)10-8-11-18(3)16-19-12-14-20-15-13-19;/h9,11H,2,4-8,10,12-16H2,1,3H3;/q-1;+1/b17-9-,18-11-;.
What are the key properties of lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine?
lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine has a molecular weight of 285.40 g/mol, XLogP of 1.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine is sourced from PubChem (CID 156682915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).