3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C216H487F2N23 — CID 159214751

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC(C)N.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1(C)C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](C)C1.CC(C)N1C[C@@H](C)[C@H](C)C1.CC(C)N1C[C@H](C)[C@@H](C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1.CC[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C11H21N.C10H19N.2C10H21N.C9H17N.7C9H19N.C8H15N.8C8H17N.C7H13F2N.C3H9N.C2H6.19CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9-4-3-5-10(9)7-11;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)10-5-8-3-4-9(8)6-10;3*1-7(2)10-5-8(3)9(4)6-10;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-7-5-6-9(10,3)4;2*1-4-9-5-6-10(7-9)8(2)3;1-6(2)9-4-7-3-8(7)5-9;6*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-3(2)4;1-2;;;;;;;;;;;;;;;;;;;/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*8-10H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;8*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3H,4H2,1-2H3;1-2H3;19*1H4/t;;2*10-;;8-,9+;2*8-,9-;;;2*9-;;8*8-;;;;;;;;;;;;;;;;;;;;;;/m..10..10..10.11100010....................../s1
InChIKeyKQXSQKSWCFJBPK-ZKIVYFJESA-N
MW3445.43 g/mol
LogP56.45
Rot. Bonds26

About 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 159214751) has the molecular formula C216H487F2N23 and a molecular weight of 3445.43 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID159214751
Molecular FormulaC216H487F2N23
Molecular Weight3445.43 g/mol
Exact Mass3442.88
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC(C)N.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1(C)C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](C)C1.CC(C)N1C[C@@H](C)[C@H](C)C1.CC(C)N1C[C@H](C)[C@@H](C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1.CC[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C11H21N.C10H19N.2C10H21N.C9H17N.7C9H19N.C8H15N.8C8H17N.C7H13F2N.C3H9N.C2H6.19CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9-4-3-5-10(9)7-11;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)10-5-8-3-4-9(8)6-10;3*1-7(2)10-5-8(3)9(4)6-10;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-7-5-6-9(10,3)4;2*1-4-9-5-6-10(7-9)8(2)3;1-6(2)9-4-7-3-8(7)5-9;6*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-3(2)4;1-2;;;;;;;;;;;;;;;;;;;/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*8-10H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;8*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3H,4H2,1-2H3;1-2H3;19*1H4/t;;2*10-;;8-,9+;2*8-,9-;;;2*9-;;8*8-;;;;;;;;;;;;;;;;;;;;;;/m..10..10..10.11100010....................../s1
InChIKeyKQXSQKSWCFJBPK-ZKIVYFJESA-N
XLogP56.45
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003445.43
LogP ≤ 556.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 159214751) is 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC(C)N.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCCC1(C)C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](C)C1.CC(C)N1C[C@@H](C)[C@H](C)C1.CC(C)N1C[C@H](C)[C@@H](C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1.CC[C@H]1CCN(C(C)C)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is KQXSQKSWCFJBPK-ZKIVYFJESA-N. The full InChI is InChI=1S/C11H21N.C10H19N.2C10H21N.C9H17N.7C9H19N.C8H15N.8C8H17N.C7H13F2N.C3H9N.C2H6.19CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9-4-3-5-10(9)7-11;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)10-5-8-3-4-9(8)6-10;3*1-7(2)10-5-8(3)9(4)6-10;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-7-5-6-9(10,3)4;2*1-4-9-5-6-10(7-9)8(2)3;1-6(2)9-4-7-3-8(7)5-9;6*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)10-4-3-7(8,9)5-10;1-3(2)4;1-2;;;;;;;;;;;;;;;;;;;/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*8-10H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;3*7-9H,5-6H2,1-4H3;2*8H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;8*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3H,4H2,1-2H3;1-2H3;19*1H4/t;;2*10-;;8-,9+;2*8-,9-;;;2*9-;;8*8-;;;;;;;;;;;;;;;;;;;;;;/m..10..10..10.11100010....................../s1.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 3445.43 g/mol, XLogP of 56.45, 26 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpyrrolidine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;(3S,4S)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3S,4R)-3,4-dimethyl-1-propan-2-ylpyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;ethane;(3S)-3-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;methane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;tris((3S)-3-methyl-1-propan-2-ylpyrrolidine);tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);propan-2-amine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 159214751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).