(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane

C13H24N2O2 — CID 6713646

IUPAC(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2CN(CCCN3CCOCC3)[C@H](C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyFSIMALIYJGZLBF-OLZOCXBDSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds4

About (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane

(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 6713646) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
PubChem CID6713646
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2CN(CCCN3CCOCC3)[C@H](C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyFSIMALIYJGZLBF-OLZOCXBDSA-N
XLogP0.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-methoxypropyl)-
CID 97169
6-Butyl-8-oxa-6-azabicyclo(3.2.1)octane
CID 97170
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(bis(2-hydroxyethyl)amino)propyl)-
CID 3056548
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(2-ethoxyethoxy)propyl)-
CID 3056550
8-Oxa-6-azabicyclo(3.2.1)octane, 6,6'-trimethylenebis-
CID 3056551
6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane
CID 265980
4-[[5-(Morpholinomethyl)tetrahydrofuran-2-yl]methyl]morpholine
CID 412277
(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
CID 3246372
N,N-dimethyl-3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propan-1-amine
CID 265979
6-Cyclohexyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 265981
N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 54375799
3-(2-Propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 89027255

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane (CID 6713646) is (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane is C1C[C@@H]2CN(CCCN3CCOCC3)[C@H](C1)O2.
What is the InChIKey of (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is FSIMALIYJGZLBF-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13+/m1/s1.
What are the key properties of (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 240.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 6713646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).