4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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

C197H373F2N41O13 — CID 159721368

IUPAC4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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
SMILESCC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(N)C(C#N)C1.CC(C)N1CC(N)C(O)C1.CC(C)N1CC(N)C2(CC2)C1.CC(C)N1CC(N)CC1CO.CC(C)N1CC(O)C(C#N)C1.CC(C)N1CC(O)C(N=[N+]=[N-])C1.CC(C)N1CC(O)C(O)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCC[C@H]1CN.CC1CCN(C(C)C)C1
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H22N2O2.C9H18N2.C9H16N2.C8H15N3.C8H16N2O2.C8H14N2O.C8H18N2O.C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H14N4O.C7H16N2O.C7H16N2.C7H15NO2/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;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;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;1-6(2)11-4-7(3-9)8(10)5-11;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(3-9)8(11)5-10;1-6(2)10-4-7(9)3-8(10)5-11;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-5(2)11-3-6(9-10-8)7(12)4-11;1-5(2)9-3-6(8)7(10)4-9;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8/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;7-10H,5-6,12H2,1-4H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;6-8H,4-5,10H2,1-2H3;6-7H,3-5,9H2,1-2H3;6-8,11H,4-5H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-7,12H,3-4H2,1-2H3;5-7,10H,3-4,8H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1
InChIKeyNABQUHPFMRDCMU-VXHVXAFMSA-N
MW3562.42 g/mol
LogP21.40
Rot. Bonds39

About 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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

4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 159721368) has the molecular formula C197H373F2N41O13 and a molecular weight of 3562.42 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 Name4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 CID159721368
Molecular FormulaC197H373F2N41O13
Molecular Weight3562.42 g/mol
Exact Mass3559.98
IUPAC Name4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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
SMILESCC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(N)C(C#N)C1.CC(C)N1CC(N)C(O)C1.CC(C)N1CC(N)C2(CC2)C1.CC(C)N1CC(N)CC1CO.CC(C)N1CC(O)C(C#N)C1.CC(C)N1CC(O)C(N=[N+]=[N-])C1.CC(C)N1CC(O)C(O)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCC[C@H]1CN.CC1CCN(C(C)C)C1
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H22N2O2.C9H18N2.C9H16N2.C8H15N3.C8H16N2O2.C8H14N2O.C8H18N2O.C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H14N4O.C7H16N2O.C7H16N2.C7H15NO2/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;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;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;1-6(2)11-4-7(3-9)8(10)5-11;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(3-9)8(11)5-10;1-6(2)10-4-7(9)3-8(10)5-11;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-5(2)11-3-6(9-10-8)7(12)4-11;1-5(2)9-3-6(8)7(10)4-9;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8/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;7-10H,5-6,12H2,1-4H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;6-8H,4-5,10H2,1-2H3;6-7H,3-5,9H2,1-2H3;6-8,11H,4-5H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-7,12H,3-4H2,1-2H3;5-7,10H,3-4,8H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1
InChIKeyNABQUHPFMRDCMU-VXHVXAFMSA-N
XLogP21.40
TPSA688.94 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds39
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003562.42
LogP ≤ 521.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 159721368) is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 CC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(N)C(C#N)C1.CC(C)N1CC(N)C(O)C1.CC(C)N1CC(N)C2(CC2)C1.CC(C)N1CC(N)CC1CO.CC(C)N1CC(O)C(C#N)C1.CC(C)N1CC(O)C(N=[N+]=[N-])C1.CC(C)N1CC(O)C(O)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(N)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCC[C@H]1CN.CC1CCN(C(C)C)C1.
What is the InChIKey of 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 NABQUHPFMRDCMU-VXHVXAFMSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H22N2O2.C9H18N2.C9H16N2.C8H15N3.C8H16N2O2.C8H14N2O.C8H18N2O.C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H14N4O.C7H16N2O.C7H16N2.C7H15NO2/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;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;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;1-6(2)11-4-7(3-9)8(10)5-11;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(3-9)8(11)5-10;1-6(2)10-4-7(9)3-8(10)5-11;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-5(2)11-3-6(9-10-8)7(12)4-11;1-5(2)9-3-6(8)7(10)4-9;1-6(2)9-4-3-7(8)5-9;1-5(2)8-3-6(9)7(10)4-8/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;7-10H,5-6,12H2,1-4H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;6-8H,4-5,10H2,1-2H3;6-7H,3-5,9H2,1-2H3;6-8,11H,4-5H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;5-7,12H,3-4H2,1-2H3;5-7,10H,3-4,8H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-7,9-10H,3-4H2,1-2H3/t;;;;;;;;;;;;8-;;;;;;;;;/m............0........./s1.
What are the key properties of 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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?
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 3562.42 g/mol, XLogP of 21.40, 39 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-amino-1-propan-2-ylpyrrolidin-3-ol;(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-azido-1-propan-2-ylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;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;5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(1-propan-2-ylpyrrolidin-2-yl)methanol;(1-propan-2-ylpyrrolidin-3-yl)methanol;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 159721368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).