cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium

C20H42N2+2 — CID 68604997

IUPACcyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium
SMILESCCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1
InChIInChI=1S/C20H42N2/c1-6-13-20(21(2,3)18-14-9-7-10-15-18)22(4,5)19-16-11-8-12-17-19/h18-20H,6-17H2,1-5H3/q+2
InChIKeyQJJUFBBUPJGMLF-UHFFFAOYSA-N
MW310.57 g/mol
LogP4.93
Rot. Bonds6

About cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium

cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium (PubChem CID 68604997) has the molecular formula C20H42N2+2 and a molecular weight of 310.57 g/mol. Its IUPAC name is cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium
PubChem CID68604997
Molecular FormulaC20H42N2+2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Namecyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium
SMILESCCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1
InChIInChI=1S/C20H42N2/c1-6-13-20(21(2,3)18-14-9-7-10-15-18)22(4,5)19-16-11-8-12-17-19/h18-20H,6-17H2,1-5H3/q+2
InChIKeyQJJUFBBUPJGMLF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The IUPAC name of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium (CID 68604997) is cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium.
What is the SMILES notation for cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The canonical SMILES for cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium is CCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The InChIKey is QJJUFBBUPJGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-6-13-20(21(2,3)18-14-9-7-10-15-18)22(4,5)19-16-11-8-12-17-19/h18-20H,6-17H2,1-5H3/q+2.
What are the key properties of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium has a molecular weight of 310.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium is sourced from PubChem (CID 68604997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).