4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane

C17H36N2O — CID 176921987

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
SMILESC1CN(CC2CCC3CNCC3C2)CCO1.CC.CC
InChIInChI=1S/C13H24N2O.2C2H6/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15;2*1-2/h11-14H,1-10H2;2*1-2H3
InChIKeyZMIIZSFXBJLDAO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.01
Rot. Bonds2

About 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane (PubChem CID 176921987) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
PubChem CID176921987
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
SMILESC1CN(CC2CCC3CNCC3C2)CCO1.CC.CC
InChIInChI=1S/C13H24N2O.2C2H6/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15;2*1-2/h11-14H,1-10H2;2*1-2H3
InChIKeyZMIIZSFXBJLDAO-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane with MolForge

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Related Compounds

4-(azetidin-3-ylmethyl)morpholine
CID 66596271
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
CID 117269817
5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130900561
3-(morpholin-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 83821302
4-(cyclohexylmethyl)morpholine
CID 641545
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
3-(morpholin-4-ylmethyl)cyclobutan-1-ol
CID 68619351
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
(3R,5S)-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
CID 56856773
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane (CID 176921987) is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane is C1CN(CC2CCC3CNCC3C2)CCO1.CC.CC.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane?
The InChIKey is ZMIIZSFXBJLDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.2C2H6/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15;2*1-2/h11-14H,1-10H2;2*1-2H3.
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane?
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane has a molecular weight of 284.49 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane is sourced from PubChem (CID 176921987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).