3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C20H36N2O2 — CID 167107609

IUPAC3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(CCC(C)(C)N1C2CCC1COC2)N1CC2CCC(C1)O2
InChIInChI=1S/C20H36N2O2/c1-19(2,21-11-17-7-8-18(12-21)24-17)9-10-20(3,4)22-15-5-6-16(22)14-23-13-15/h15-18H,5-14H2,1-4H3
InChIKeyFPWMHPBFFIHZCN-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.05
Rot. Bonds5

About 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 167107609) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID167107609
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(CCC(C)(C)N1C2CCC1COC2)N1CC2CCC(C1)O2
InChIInChI=1S/C20H36N2O2/c1-19(2,21-11-17-7-8-18(12-21)24-17)9-10-20(3,4)22-15-5-6-16(22)14-23-13-15/h15-18H,5-14H2,1-4H3
InChIKeyFPWMHPBFFIHZCN-UHFFFAOYSA-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 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 167107609) is 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)(CCC(C)(C)N1C2CCC1COC2)N1CC2CCC(C1)O2.
What is the InChIKey of 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is FPWMHPBFFIHZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-19(2,21-11-17-7-8-18(12-21)24-17)9-10-20(3,4)22-15-5-6-16(22)14-23-13-15/h15-18H,5-14H2,1-4H3.
What are the key properties of 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-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 3-[2,5-dimethyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 167107609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).