lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine

C19H35LiN2 — CID 156682907

IUPAClithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+]
InChIInChI=1S/C19H35N2.Li/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;/h10,12H,2,5-9,11,13-17H2,1,3-4H3;/q-1;+1/b18-10-,19-12-;
InChIKeyRRTPPQMVMJORSK-NUDCBXEISA-N
MW298.44 g/mol
LogP1.31
Rot. Bonds9

About lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine

lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (PubChem CID 156682907) has the molecular formula C19H35LiN2 and a molecular weight of 298.44 g/mol. Its IUPAC name is lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Namelithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
PubChem CID156682907
Molecular FormulaC19H35LiN2
Molecular Weight298.44 g/mol
Exact Mass298.30
IUPAC Namelithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine
SMILES[CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+]
InChIInChI=1S/C19H35N2.Li/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;/h10,12H,2,5-9,11,13-17H2,1,3-4H3;/q-1;+1/b18-10-,19-12-;
InChIKeyRRTPPQMVMJORSK-NUDCBXEISA-N
XLogP1.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.31
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'}

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Related Compounds

Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Piperazine, 1,4-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446208
Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
Piperazine, 1-(2-propynyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446875
3,7,11,15-Tetramethyl-1-(4-methylpyperadino)-hexadeca-2,6,10,14-tetraene
CID 132993812
1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
CID 134764499
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine
CID 123343640
1-(4-Ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
CID 123789556
1-Methyl-4-(2-methylpent-2-enyl)piperazine
CID 123791739
1-methyl-4-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 139501883
1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine
CID 139502020
1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine
CID 139662729

Frequently Asked Questions

What is the IUPAC name of lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The IUPAC name of lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine (CID 156682907) is lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine.
What is the SMILES notation for lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The canonical SMILES for lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is [CH2-]/C(=C/CCCCC)CC/C=C(/C)CN1CCN(C)CC1.[Li+].
What is the InChIKey of lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
The InChIKey is RRTPPQMVMJORSK-NUDCBXEISA-N. The full InChI is InChI=1S/C19H35N2.Li/c1-5-6-7-8-10-18(2)11-9-12-19(3)17-21-15-13-20(4)14-16-21;/h10,12H,2,5-9,11,13-17H2,1,3-4H3;/q-1;+1/b18-10-,19-12-;.
What are the key properties of lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine?
lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine has a molecular weight of 298.44 g/mol, XLogP of 1.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]-4-methylpiperazine is sourced from PubChem (CID 156682907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).