cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium

C21H44N2+2 — CID 3094114

IUPACcyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESC[N+](C)(CCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H44N2/c1-22(2,20-14-8-5-9-15-20)18-12-7-13-19-23(3,4)21-16-10-6-11-17-21/h20-21H,5-19H2,1-4H3/q+2
InChIKeyHKEYJKSPOGOCQH-UHFFFAOYSA-N
MW324.60 g/mol
LogP4.97
Rot. Bonds8

About cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium

cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (PubChem CID 3094114) has the molecular formula C21H44N2+2 and a molecular weight of 324.60 g/mol. Its IUPAC name is cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
PubChem CID3094114
Molecular FormulaC21H44N2+2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Namecyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESC[N+](C)(CCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H44N2/c1-22(2,20-14-8-5-9-15-20)18-12-7-13-19-23(3,4)21-16-10-6-11-17-21/h20-21H,5-19H2,1-4H3/q+2
InChIKeyHKEYJKSPOGOCQH-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The IUPAC name of cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (CID 3094114) is cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.
What is the SMILES notation for cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The canonical SMILES for cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium is C[N+](C)(CCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The InChIKey is HKEYJKSPOGOCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-22(2,20-14-8-5-9-15-20)18-12-7-13-19-23(3,4)21-16-10-6-11-17-21/h20-21H,5-19H2,1-4H3/q+2.
What are the key properties of cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium has a molecular weight of 324.60 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium is sourced from PubChem (CID 3094114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).