ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C12H25NO2 — CID 164904163

IUPACethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COC[C@]12CCCN1C[C@H](OC)C2
InChIInChI=1S/C10H19NO2.C2H6/c1-12-8-10-4-3-5-11(10)7-9(6-10)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10-;/m1./s1
InChIKeyAHEYHKPIRAOWKZ-DHTOPLTISA-N
MW215.34 g/mol
LogP1.91
Rot. Bonds3

About ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164904163) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164904163
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COC[C@]12CCCN1C[C@H](OC)C2
InChIInChI=1S/C10H19NO2.C2H6/c1-12-8-10-4-3-5-11(10)7-9(6-10)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10-;/m1./s1
InChIKeyAHEYHKPIRAOWKZ-DHTOPLTISA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164904163) is ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC.COC[C@]12CCCN1C[C@H](OC)C2.
What is the InChIKey of ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is AHEYHKPIRAOWKZ-DHTOPLTISA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-12-8-10-4-3-5-11(10)7-9(6-10)13-2;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10-;/m1./s1.
What are the key properties of ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 215.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164904163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).