About 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]
3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine] (PubChem CID 157258539) has the molecular formula C167H296N18O6
and a molecular weight of 2652.32 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine].
Frequently Asked Questions
What is the IUPAC name of 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]?
The IUPAC name of 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine] (CID 157258539) is 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine].
What is the SMILES notation for 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]?
The canonical SMILES for 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine] is CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CC2CNCC2C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC1.CC(C)N1CCC2(CC1)Cc1ccccc1C2.CC(C)N1CCC2(CC1)Cc1ccccc1O2.CC(C)N1CCC2(CC1)Cc1cccnc1O2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCO2)CC1.CC(C)N1CCC2(CCOC2)CC1.CC(C)N1CCCCCC1.CC(C)N1CCOCC1.CC(C)NC1CCOC2(C1)CN1CCC2CC1.
What is the InChIKey of 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]?
The InChIKey is AXEIGGRNSGWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21NO.C14H26N2O.C14H20N2O.C13H19N.C12H23NO.C11H21NO.2C11H21N.C10H19N.C9H18N2.C9H17N.C9H19N.C7H15NO.C6H13N/c1-13(2)17-9-7-16(8-10-17)11-14-5-3-4-6-15(14)12-16;1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14(13)17-15;1-11(2)15-13-5-8-17-14(9-13)10-16-6-3-12(14)4-7-16;1-11(2)16-8-5-14(6-9-16)10-12-4-3-7-15-13(12)17-14;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)13-8-6-12(7-9-13)5-3-4-10-14-12;1-10(2)12-6-3-11(4-7-12)5-8-13-9-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-10(2)12-8-7-11(9-12)5-3-4-6-11;1-8(2)11-6-9-4-3-5-10(9)7-11;1-7(2)11-5-8-3-10-4-9(8)6-11;1-8(2)10-6-5-9(7-10)3-4-9;1-9(2)10-7-5-3-4-6-8-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-7/h3-6,13H,7-12H2,1-2H3;3-6,12H,7-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;3-4,7,11H,5-6,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]?
3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine] has a molecular weight of 2652.32 g/mol, XLogP of 31.07, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane;N-propan-2-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-oxane]-4'-amine;1'-propan-2-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine];1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine] is sourced from PubChem (CID 157258539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).