bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen

C22H28N+ — CID 159253344

IUPACbis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen
SMILESC#CC#CC#CC#CC#C[N+](C)(C)C#CC#CC#CC#CC#C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H8N.10H2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;;;;;;;;;/h1-2H,3-4H3;10*1H/q+1;;;;;;;;;;
InChIKeyKVOQPOWMGQYXKX-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.73
Rot. Bonds

About bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen

bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen (PubChem CID 159253344) has the molecular formula C22H28N+ and a molecular weight of 306.47 g/mol. Its IUPAC name is bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen.

Molecular Properties

Compound Namebis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen
PubChem CID159253344
Molecular FormulaC22H28N+
Molecular Weight306.47 g/mol
Exact Mass306.22
IUPAC Namebis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen
SMILESC#CC#CC#CC#CC#C[N+](C)(C)C#CC#CC#CC#CC#C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H8N.10H2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;;;;;;;;;/h1-2H,3-4H3;10*1H/q+1;;;;;;;;;;
InChIKeyKVOQPOWMGQYXKX-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen?
The IUPAC name of bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen (CID 159253344) is bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen.
What is the SMILES notation for bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen?
The canonical SMILES for bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen is C#CC#CC#CC#CC#C[N+](C)(C)C#CC#CC#CC#CC#C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen?
The InChIKey is KVOQPOWMGQYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8N.10H2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;;;;;;;;;;/h1-2H,3-4H3;10*1H/q+1;;;;;;;;;;.
What are the key properties of bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen?
bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen has a molecular weight of 306.47 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen is sourced from PubChem (CID 159253344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).