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

C26H50N2O2+2 — CID 10454836

IUPAC8-[10-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC(O)C3)C2CCC1CC(O)C2
InChIInChI=1S/C26H50N2O2/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/h21-26,29-30H,3-20H2,1-2H3/q+2
InChIKeyBOGJLUYYYHZIHO-UHFFFAOYSA-N
MW422.70 g/mol
LogP4.37
Rot. Bonds11

About 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

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 (PubChem CID 10454836) has the molecular formula C26H50N2O2+2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[10-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID10454836
Molecular FormulaC26H50N2O2+2
Molecular Weight422.70 g/mol
Exact Mass422.39
IUPAC Name8-[10-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC(O)C3)C2CCC1CC(O)C2
InChIInChI=1S/C26H50N2O2/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/h21-26,29-30H,3-20H2,1-2H3/q+2
InChIKeyBOGJLUYYYHZIHO-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 54.37
H-Bond Donors ≤ 52
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-[10-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-Methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-8-azabicyclo[3.2.1]octane
CID 56625364
8-[2-[(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 58400618
8-[[(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 58400646
(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
Butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium
CID 158544698
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
8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-ol;8-tert-butyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;methane
CID 160183410
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 160247399
(1S,5S)-2,4,8-trimethyl-8-azabicyclo[3.2.1]octan-1-ol;2,4,8-trimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 161683358
2-(8-Azabicyclo[3.2.1]octan-8-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 173568168

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[N+]1(CCCCCCCCCC[N+]2(C)C3CCC2CC(O)C3)C2CCC1CC(O)C2.
What is the InChIKey of 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?
The InChIKey is BOGJLUYYYHZIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O2/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/h21-26,29-30H,3-20H2,1-2H3/q+2.
What are the key properties of 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?
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 has a molecular weight of 422.70 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10454836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).