4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine

C14H26N2O — CID 137455480

IUPAC4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine
SMILESCN1CCOC(C2CCCC3CN(C)CC32)C1
InChIInChI=1S/C14H26N2O/c1-15-6-7-17-14(10-15)12-5-3-4-11-8-16(2)9-13(11)12/h11-14H,3-10H2,1-2H3
InChIKeyFBIWKTIWQAJIIS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.29
Rot. Bonds1

About 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine

4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine (PubChem CID 137455480) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine
PubChem CID137455480
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine
SMILESCN1CCOC(C2CCCC3CN(C)CC32)C1
InChIInChI=1S/C14H26N2O/c1-15-6-7-17-14(10-15)12-5-3-4-11-8-16(2)9-13(11)12/h11-14H,3-10H2,1-2H3
InChIKeyFBIWKTIWQAJIIS-UHFFFAOYSA-N
XLogP1.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine with MolForge

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Related Compounds

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(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 142824086
(4aS,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339163
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
CID 130920583
6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine
CID 123450803
4-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 154980100
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine?
The IUPAC name of 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine (CID 137455480) is 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine.
What is the SMILES notation for 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine?
The canonical SMILES for 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine is CN1CCOC(C2CCCC3CN(C)CC32)C1.
What is the InChIKey of 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine?
The InChIKey is FBIWKTIWQAJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-6-7-17-14(10-15)12-5-3-4-11-8-16(2)9-13(11)12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine?
4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine has a molecular weight of 238.37 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine is sourced from PubChem (CID 137455480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).