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

C13H29NO — CID 168942817

IUPACethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyJLYMTYIGOQJKCC-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds2

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

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168942817) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168942817
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyJLYMTYIGOQJKCC-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
CID 168881236
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
(8S)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-6-ide;rubidium(1+)
CID 176714593
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 164922505
8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177033593
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;pentafluoro-(6-methoxy-3-pyridinyl)-λ6-sulfane
CID 169254728

Frequently Asked Questions

What is the IUPAC name of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 168942817) is ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC.CC.COCC12CCCN1CCC2.
What is the InChIKey of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is JLYMTYIGOQJKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168942817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).