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

C21H44N2+2 — CID 67368734

IUPACcyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESCCCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1
InChIInChI=1S/C21H44N2/c1-6-7-18-21(22(2,3)19-14-10-8-11-15-19)23(4,5)20-16-12-9-13-17-20/h19-21H,6-18H2,1-5H3/q+2
InChIKeyNQDLGNSFKKJVAE-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.32
Rot. Bonds7

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

cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (PubChem CID 67368734) has the molecular formula C21H44N2+2 and a molecular weight of 324.60 g/mol. Its IUPAC name is cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
PubChem CID67368734
Molecular FormulaC21H44N2+2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Namecyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
SMILESCCCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1
InChIInChI=1S/C21H44N2/c1-6-7-18-21(22(2,3)19-14-10-8-11-15-19)23(4,5)20-16-12-9-13-17-20/h19-21H,6-18H2,1-5H3/q+2
InChIKeyNQDLGNSFKKJVAE-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.32
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]pentyl]-dimethylazanium?
The IUPAC name of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium (CID 67368734) is cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium.
What is the SMILES notation for cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The canonical SMILES for cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium is CCCCC([N+](C)(C)C1CCCCC1)[N+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
The InChIKey is NQDLGNSFKKJVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-6-7-18-21(22(2,3)19-14-10-8-11-15-19)23(4,5)20-16-12-9-13-17-20/h19-21H,6-18H2,1-5H3/q+2.
What are the key properties of cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium?
cyclohexyl-[1-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium has a molecular weight of 324.60 g/mol, XLogP of 5.32, 7 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]pentyl]-dimethylazanium is sourced from PubChem (CID 67368734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).