2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine

C14H27N3O — CID 102682618

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
SMILESCCN1CCOC(CN2CC3CCCNC3C2)C1
InChIInChI=1S/C14H27N3O/c1-2-16-6-7-18-13(9-16)10-17-8-12-4-3-5-15-14(12)11-17/h12-15H,2-11H2,1H3
InChIKeyNLYUIUULVWKCER-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds3

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine (PubChem CID 102682618) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
PubChem CID102682618
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
SMILESCCN1CCOC(CN2CC3CCCNC3C2)C1
InChIInChI=1S/C14H27N3O/c1-2-16-6-7-18-13(9-16)10-17-8-12-4-3-5-15-14(12)11-17/h12-15H,2-11H2,1H3
InChIKeyNLYUIUULVWKCER-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine with MolForge

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Related Compounds

(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
4-ethyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]morpholine
CID 104975908
6-(cyclopropylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678700
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
(4aS,7aS)-6-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102899519
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
6-(2-ethylsulfonylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682496
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
CID 114401113

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine (CID 102682618) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine is CCN1CCOC(CN2CC3CCCNC3C2)C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine?
The InChIKey is NLYUIUULVWKCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-6-7-18-13(9-16)10-17-8-12-4-3-5-15-14(12)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine is sourced from PubChem (CID 102682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).