(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

C20H36N2O2 — CID 155120170

IUPAC(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
SMILESCOC1C[C@H]2CC[C@@H](C1)N2CC(C)(C)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C20H36N2O2/c1-20(2,24-19-9-14-5-6-15(10-19)21(14)3)13-22-16-7-8-17(22)12-18(11-16)23-4/h14-19H,5-13H2,1-4H3/t14-,15+,16-,17+,18?,19?
InChIKeyBJOLVHJGNNOKPT-PTKMUVKOSA-N
MW336.52 g/mol
LogP3.05
Rot. Bonds5

About (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

(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 (PubChem CID 155120170) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155120170
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name(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
SMILESCOC1C[C@H]2CC[C@@H](C1)N2CC(C)(C)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C20H36N2O2/c1-20(2,24-19-9-14-5-6-15(10-19)21(14)3)13-22-16-7-8-17(22)12-18(11-16)23-4/h14-19H,5-13H2,1-4H3/t14-,15+,16-,17+,18?,19?
InChIKeyBJOLVHJGNNOKPT-PTKMUVKOSA-N
XLogP3.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC1C[C@H]2CC[C@@H](C1)N2CC(C)(C)OC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (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?
The InChIKey is BJOLVHJGNNOKPT-PTKMUVKOSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-20(2,24-19-9-14-5-6-15(10-19)21(14)3)13-22-16-7-8-17(22)12-18(11-16)23-4/h14-19H,5-13H2,1-4H3/t14-,15+,16-,17+,18?,19?.
What are the key properties of (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?
(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 has a molecular weight of 336.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155120170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).