4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride

C15H30Cl2N2O — CID 131882343

IUPAC4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
SMILESC1CCC2CN(CCCN3CCOCC3)CC2C1.Cl.Cl
InChIInChI=1S/C15H28N2O.2ClH/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16;;/h14-15H,1-13H2;2*1H
InChIKeyDLRTYRKXPLHDLF-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.67
Rot. Bonds4

About 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride

4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride (PubChem CID 131882343) has the molecular formula C15H30Cl2N2O and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
PubChem CID131882343
Molecular FormulaC15H30Cl2N2O
Molecular Weight325.32 g/mol
Exact Mass324.17
IUPAC Name4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
SMILESC1CCC2CN(CCCN3CCOCC3)CC2C1.Cl.Cl
InChIInChI=1S/C15H28N2O.2ClH/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16;;/h14-15H,1-13H2;2*1H
InChIKeyDLRTYRKXPLHDLF-UHFFFAOYSA-N
XLogP2.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride with MolForge

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Related Compounds

1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propane-1-thiol
CID 127003744
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine
CID 102571272
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine
CID 54603713
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
N-(2-morpholin-4-ylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746906
4-(3-bromopropyl)morpholine
CID 13034048
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-diethylbutan-1-amine;hydrochloride
CID 54609763
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride?
The IUPAC name of 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride (CID 131882343) is 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride is C1CCC2CN(CCCN3CCOCC3)CC2C1.Cl.Cl.
What is the InChIKey of 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride?
The InChIKey is DLRTYRKXPLHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.2ClH/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16;;/h14-15H,1-13H2;2*1H.
What are the key properties of 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride?
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride has a molecular weight of 325.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride is sourced from PubChem (CID 131882343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).