3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C215H410F2N34O6 — CID 159358794

IUPAC3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC.C.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](O)[C@@H](O)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H16N2.C9H20N2.4C9H19N.C8H18N2.C8H14N2.C8H17NO.2C8H17N.C7H13F2N.C7H16N2.C7H15NO2.C7H15NO.2CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8;1-6(2)8-3-7(4-8)5-9;;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9-10H,5-8H2,2-3H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;2*1H4/t;;12-;;;;;8-;;8-,9+;;;2*9-;2*8-;;8-;;;7-;6-,7-;;;/m..0....1.0..1100.1..00.../s1
InChIKeyLIGNUTFHJGEHAZ-PGZHJJAISA-N
MW3605.87 g/mol
LogP36.65
Rot. Bonds38

About 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 159358794) has the molecular formula C215H410F2N34O6 and a molecular weight of 3605.87 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
PubChem CID159358794
Molecular FormulaC215H410F2N34O6
Molecular Weight3605.87 g/mol
Exact Mass3603.28
IUPAC Name3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC.C.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](O)[C@@H](O)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H16N2.C9H20N2.4C9H19N.C8H18N2.C8H14N2.C8H17NO.2C8H17N.C7H13F2N.C7H16N2.C7H15NO2.C7H15NO.2CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8;1-6(2)8-3-7(4-8)5-9;;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9-10H,5-8H2,2-3H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;2*1H4/t;;12-;;;;;8-;;8-,9+;;;2*9-;2*8-;;8-;;;7-;6-,7-;;;/m..0....1.0..1100.1..00.../s1
InChIKeyLIGNUTFHJGEHAZ-PGZHJJAISA-N
XLogP36.65
TPSA380.36 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003605.87
LogP ≤ 536.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 159358794) is 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is C.C.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](O)[C@@H](O)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is LIGNUTFHJGEHAZ-PGZHJJAISA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H16N2.C9H20N2.4C9H19N.C8H18N2.C8H14N2.C8H17NO.2C8H17N.C7H13F2N.C7H16N2.C7H15NO2.C7H15NO.2CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8;1-6(2)8-3-7(4-8)5-9;;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9-10H,5-8H2,2-3H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3;6-7,9H,3-5H2,1-2H3;2*1H4/t;;12-;;;;;8-;;8-,9+;;;2*9-;2*8-;;8-;;;7-;6-,7-;;;/m..0....1.0..1100.1..00.../s1.
What are the key properties of 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 3605.87 g/mol, XLogP of 36.65, 38 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 159358794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).