4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine

C14H26N2O — CID 102894231

IUPAC4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC2NCC3CCCC32)CC(C)O1
InChIInChI=1S/C14H26N2O/c1-10-7-16(8-11(2)17-10)9-14-13-5-3-4-12(13)6-15-14/h10-15H,3-9H2,1-2H3
InChIKeyFTFGVGFASUYGND-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.48
Rot. Bonds2

About 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine

4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine (PubChem CID 102894231) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine
PubChem CID102894231
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC2NCC3CCCC32)CC(C)O1
InChIInChI=1S/C14H26N2O/c1-10-7-16(8-11(2)17-10)9-14-13-5-3-4-12(13)6-15-14/h10-15H,3-9H2,1-2H3
InChIKeyFTFGVGFASUYGND-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine (CID 102894231) is 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine is CC1CN(CC2NCC3CCCC32)CC(C)O1.
What is the InChIKey of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine?
The InChIKey is FTFGVGFASUYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-7-16(8-11(2)17-10)9-14-13-5-3-4-12(13)6-15-14/h10-15H,3-9H2,1-2H3.
What are the key properties of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine?
4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine has a molecular weight of 238.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 102894231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).