8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate

C26H48N2O2 — CID 10454835

IUPAC8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC([O-])C3)C2CCC1CC([O-])C2
InChIInChI=1S/C26H48N2O2/c1-27(21-11-12-22(27)18-25(29)17-21)15-9-7-5-3-4-6-8-10-16-28(2)23-13-14-24(28)20-26(30)19-23/h21-26H,3-20H2,1-2H3
InChIKeyXIWOWINVZOUOCG-UHFFFAOYSA-N
MW420.68 g/mol
LogP3.11
Rot. Bonds11

About 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate

8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate (PubChem CID 10454835) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate.

Molecular Properties

Compound Name8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate
PubChem CID10454835
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC([O-])C3)C2CCC1CC([O-])C2
InChIInChI=1S/C26H48N2O2/c1-27(21-11-12-22(27)18-25(29)17-21)15-9-7-5-3-4-6-8-10-16-28(2)23-13-14-24(28)20-26(30)19-23/h21-26H,3-20H2,1-2H3
InChIKeyXIWOWINVZOUOCG-UHFFFAOYSA-N
XLogP3.11
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.68
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate with MolForge

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Launch Full Analysis

Related Compounds

8-Methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-8-azabicyclo[3.2.1]octane
CID 56625364
(1S,5R)-8-methyl-3-[2-[(1S,5R)-3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethoxy]-8-azabicyclo[3.2.1]octane
CID 155119969
(1S,5R)-3-methoxy-8-[2-methyl-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]propyl]-8-azabicyclo[3.2.1]octane
CID 155120170
Butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane
CID 159532638
(6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol;(6S)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol
CID 160181347
(5R)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol
CID 160181348
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 160247399
bis[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] carbonate
CID 169771150
8-Methyl-8-[3-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-8-azoniabicyclo[3.2.1]octan-3-olate
CID 9996265
8-[3-(3-Hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 9996266
8-[10-(3-Hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 10454836
8-Methyl-8-[4-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)butyl]-8-azoniabicyclo[3.2.1]octan-3-olate
CID 11724594

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate?
The IUPAC name of 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate (CID 10454835) is 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate.
What is the SMILES notation for 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate?
The canonical SMILES for 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate is C[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC([O-])C3)C2CCC1CC([O-])C2.
What is the InChIKey of 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate?
The InChIKey is XIWOWINVZOUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O2/c1-27(21-11-12-22(27)18-25(29)17-21)15-9-7-5-3-4-6-8-10-16-28(2)23-13-14-24(28)20-26(30)19-23/h21-26H,3-20H2,1-2H3.
What are the key properties of 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate?
8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate has a molecular weight of 420.68 g/mol, XLogP of 3.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-[10-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-azoniabicyclo[3.2.1]octan-3-olate is sourced from PubChem (CID 10454835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).