ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C21H44N2O2 — CID 169146065

IUPACethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC.CC(C)OCC1CCCN1C.CCOCC12CCCN1CCC2
InChIInChI=1S/C10H19NO.C9H19NO.C2H6/c1-2-12-9-10-5-3-7-11(10)8-4-6-10;1-8(2)11-7-9-5-4-6-10(9)3;1-2/h2-9H2,1H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAANMGTORQWKHJW-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.18
Rot. Bonds6

About ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 169146065) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID169146065
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC Nameethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC.CC(C)OCC1CCCN1C.CCOCC12CCCN1CCC2
InChIInChI=1S/C10H19NO.C9H19NO.C2H6/c1-2-12-9-10-5-3-7-11(10)8-4-6-10;1-8(2)11-7-9-5-4-6-10(9)3;1-2/h2-9H2,1H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAANMGTORQWKHJW-UHFFFAOYSA-N
XLogP4.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
[(3S,8R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanamine
CID 177217439
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
(3S,8S)-8-(ethoxymethyl)-3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169255735
(2R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 177033202
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
(4aR,7aR)-4a-(ethoxymethyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 170572243
8-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176568432
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188

Frequently Asked Questions

What is the IUPAC name of ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 169146065) is ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC.CC(C)OCC1CCCN1C.CCOCC12CCCN1CCC2.
What is the InChIKey of ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is AANMGTORQWKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H19NO.C2H6/c1-2-12-9-10-5-3-7-11(10)8-4-6-10;1-8(2)11-7-9-5-4-6-10(9)3;1-2/h2-9H2,1H3;8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 356.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 169146065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).