1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane

C23H48N4+4 — CID 118732352

IUPAC1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
SMILESCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCC)(CC3)CC4)(CC1)CC2
InChIInChI=1S/C23H48N4/c1-3-8-24-12-18-26(19-13-24,20-14-24)10-6-5-7-11-27-21-15-25(9-4-2,16-22-27)17-23-27/h3-23H2,1-2H3/q+4
InChIKeyYAIKOBCZIXHXHI-UHFFFAOYSA-N
MW380.67 g/mol
LogP2.30
Rot. Bonds10

About 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane

1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane (PubChem CID 118732352) has the molecular formula C23H48N4+4 and a molecular weight of 380.67 g/mol. Its IUPAC name is 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
PubChem CID118732352
Molecular FormulaC23H48N4+4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Name1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
SMILESCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCC)(CC3)CC4)(CC1)CC2
InChIInChI=1S/C23H48N4/c1-3-8-24-12-18-26(19-13-24,20-14-24)10-6-5-7-11-27-21-15-25(9-4-2,16-22-27)17-23-27/h3-23H2,1-2H3/q+4
InChIKeyYAIKOBCZIXHXHI-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 52.30
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'}

Analyze 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
1-Dodecyl-4-[5-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 66555869
1-Tetradecyl-4-[5-(4-tetradecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 78321539
1-Ethyl-4-[5-(4-ethyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732349
1-Propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732351
1-Heptyl-4-[5-(4-heptyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732353
1-Octyl-4-[5-(4-octyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732355
1-Nonyl-4-[5-(4-nonyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732357
1-Decyl-4-[5-(4-decyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732359
1-Pentadecyl-4-[5-(4-pentadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732361
1-Octadecyl-4-[5-(4-octadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane tetrabromide
CID 118732365
1-Dodecyl-4-[3-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 132580698

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane?
The IUPAC name of 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane (CID 118732352) is 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane.
What is the SMILES notation for 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane?
The canonical SMILES for 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane is CCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCC)(CC3)CC4)(CC1)CC2.
What is the InChIKey of 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane?
The InChIKey is YAIKOBCZIXHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4/c1-3-8-24-12-18-26(19-13-24,20-14-24)10-6-5-7-11-27-21-15-25(9-4-2,16-22-27)17-23-27/h3-23H2,1-2H3/q+4.
What are the key properties of 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane?
1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane has a molecular weight of 380.67 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane is sourced from PubChem (CID 118732352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).