4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C147H287F2N35O4 — CID 158503360

IUPAC4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESCC(C)N1CC(N)C(C#N)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CO)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1
InChIInChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.2C8H16N4.C8H15N3.3C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H16N2/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;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;2*1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)11-4-7(3-9)8(10)5-11;2*1-6(2)10-4-7(3)8(9)5-10;2*1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-8H,4-5,10H2,1-2H3;2*6-8H,4-5,9H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3/t;10-;;8-;;2*7-,8+;;2*7-,8+;2*8-;7-,8-;2*8-;;7-/m.0.1.10.1000011.0/s1
InChIKeyHKECREORCGKLLJ-VHVJOGIZSA-N
MW2647.15 g/mol
LogP21.41
Rot. Bonds26

About 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 158503360) has the molecular formula C147H287F2N35O4 and a molecular weight of 2647.15 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
PubChem CID158503360
Molecular FormulaC147H287F2N35O4
Molecular Weight2647.15 g/mol
Exact Mass2645.33
IUPAC Name4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESCC(C)N1CC(N)C(C#N)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CO)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1
InChIInChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.2C8H16N4.C8H15N3.3C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H16N2/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;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;2*1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)11-4-7(3-9)8(10)5-11;2*1-6(2)10-4-7(3)8(9)5-10;2*1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-8H,4-5,10H2,1-2H3;2*6-8H,4-5,9H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3/t;10-;;8-;;2*7-,8+;;2*7-,8+;2*8-;7-,8-;2*8-;;7-/m.0.1.10.1000011.0/s1
InChIKeyHKECREORCGKLLJ-VHVJOGIZSA-N
XLogP21.41
TPSA485.52 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.15
LogP ≤ 521.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 158503360) is 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;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;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is CC(C)N1CC(N)C(C#N)C1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](CO)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1.
What is the InChIKey of 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is HKECREORCGKLLJ-VHVJOGIZSA-N. The full InChI is InChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.2C8H16N4.C8H15N3.3C8H18N2.C8H14N2.2C8H17NO.C8H17N.C7H13F2N.C7H16N2/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;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;2*1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)11-4-7(3-9)8(10)5-11;2*1-6(2)10-4-7(3)8(9)5-10;2*1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-7(2)9-5-4-8(3)6-9;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-4-3-7(8)5-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-8H,4-5,10H2,1-2H3;2*6-8H,4-5,9H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3/t;10-;;8-;;2*7-,8+;;2*7-,8+;2*8-;7-,8-;2*8-;;7-/m.0.1.10.1000011.0/s1.
What are the key properties of 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 2647.15 g/mol, XLogP of 21.41, 26 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 158503360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).