8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane

C12H25NO — CID 164878560

IUPAC8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
SMILESCC.COCC12CCCCN1CCC2
InChIInChI=1S/C10H19NO.C2H6/c1-12-9-10-5-2-3-7-11(10)8-4-6-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyZKQTZYCKLQKCDY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds2

About 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane

8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane (PubChem CID 164878560) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane.

Molecular Properties

Compound Name8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
PubChem CID164878560
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
SMILESCC.COCC12CCCCN1CCC2
InChIInChI=1S/C10H19NO.C2H6/c1-12-9-10-5-2-3-7-11(10)8-4-6-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyZKQTZYCKLQKCDY-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
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
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
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
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427

Frequently Asked Questions

What is the IUPAC name of 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane?
The IUPAC name of 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane (CID 164878560) is 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane.
What is the SMILES notation for 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane?
The canonical SMILES for 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane is CC.COCC12CCCCN1CCC2.
What is the InChIKey of 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane?
The InChIKey is ZKQTZYCKLQKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-12-9-10-5-2-3-7-11(10)8-4-6-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane?
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane has a molecular weight of 199.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane is sourced from PubChem (CID 164878560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).