(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

C20H36N2O2 — CID 155119969

IUPAC(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
SMILESCC(C)OC1C[C@H]2CC[C@@H](C1)N2CCOC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C20H36N2O2/c1-14(2)24-20-12-17-6-7-18(13-20)22(17)8-9-23-19-10-15-4-5-16(11-19)21(15)3/h14-20H,4-13H2,1-3H3/t15-,16+,17-,18+,19?,20?
InChIKeyZFAWRVFNEICUHF-ZNXRSXASSA-N
MW336.52 g/mol
LogP3.05
Rot. Bonds6

About (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

(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 (PubChem CID 155119969) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155119969
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name(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
SMILESCC(C)OC1C[C@H]2CC[C@@H](C1)N2CCOC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C20H36N2O2/c1-14(2)24-20-12-17-6-7-18(13-20)22(17)8-9-23-19-10-15-4-5-16(11-19)21(15)3/h14-20H,4-13H2,1-3H3/t15-,16+,17-,18+,19?,20?
InChIKeyZFAWRVFNEICUHF-ZNXRSXASSA-N
XLogP3.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)OC1C[C@H]2CC[C@@H](C1)N2CCOC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (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?
The InChIKey is ZFAWRVFNEICUHF-ZNXRSXASSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-14(2)24-20-12-17-6-7-18(13-20)22(17)8-9-23-19-10-15-4-5-16(11-19)21(15)3/h14-20H,4-13H2,1-3H3/t15-,16+,17-,18+,19?,20?.
What are the key properties of (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?
(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 has a molecular weight of 336.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).