2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine

C184H307N33O3S — CID 157487570

IUPAC2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine
SMILESC=C(N)c1ccnc(N2CC(C)C(C(C)(C)C)C2)n1.CC1CN(C(=O)C2(C)CC2)CC1C(C)(C)C.CC1CN(S(C)(=O)=O)CC1C(C)(C)C.CCC1CN(c2ccc(C)cn2)CC1C(C)(C)C.CCC1CN(c2ncc(C)cn2)CC1C(C)(C)C.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)cn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1
InChIInChI=1S/C16H26N2.C15H24N4.C15H25N3.2C15H24N2.6C14H23N3.C14H25NO.C10H21NO2S/c1-6-13-10-18(11-14(13)16(3,4)5)15-8-7-12(2)9-17-15;1-10-8-19(9-12(10)15(3,4)5)14-17-7-6-13(18-14)11(2)16;1-6-12-9-18(10-13(12)15(3,4)5)14-16-7-11(2)8-17-14;2*1-11-6-7-14(16-8-11)17-9-12(2)13(10-17)15(3,4)5;1-10-8-17(9-12(10)14(3,4)5)13-7-15-11(2)6-16-13;3*1-10-6-15-13(16-7-10)17-8-11(2)12(9-17)14(3,4)5;2*1-10-8-17(9-12(10)14(3,4)5)13-7-6-11(2)15-16-13;1-10-8-15(9-11(10)13(2,3)4)12(16)14(5)6-7-14;1-8-6-11(14(5,12)13)7-9(8)10(2,3)4/h7-9,13-14H,6,10-11H2,1-5H3;6-7,10,12H,2,8-9,16H2,1,3-5H3;7-8,12-13H,6,9-10H2,1-5H3;2*6-8,12-13H,9-10H2,1-5H3;6-7,10,12H,8-9H2,1-5H3;3*6-7,11-12H,8-9H2,1-5H3;2*6-7,10,12H,8-9H2,1-5H3;10-11H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3
InChIKeyBWWWGJZCHJGJKL-UHFFFAOYSA-N
MW3061.77 g/mol
LogP38.64
Rot. Bonds16

About 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine

2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine (PubChem CID 157487570) has the molecular formula C184H307N33O3S and a molecular weight of 3061.77 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine
PubChem CID157487570
Molecular FormulaC184H307N33O3S
Molecular Weight3061.77 g/mol
Exact Mass3059.46
IUPAC Name2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine
SMILESC=C(N)c1ccnc(N2CC(C)C(C(C)(C)C)C2)n1.CC1CN(C(=O)C2(C)CC2)CC1C(C)(C)C.CC1CN(S(C)(=O)=O)CC1C(C)(C)C.CCC1CN(c2ccc(C)cn2)CC1C(C)(C)C.CCC1CN(c2ncc(C)cn2)CC1C(C)(C)C.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)cn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1
InChIInChI=1S/C16H26N2.C15H24N4.C15H25N3.2C15H24N2.6C14H23N3.C14H25NO.C10H21NO2S/c1-6-13-10-18(11-14(13)16(3,4)5)15-8-7-12(2)9-17-15;1-10-8-19(9-12(10)15(3,4)5)14-17-7-6-13(18-14)11(2)16;1-6-12-9-18(10-13(12)15(3,4)5)14-16-7-11(2)8-17-14;2*1-11-6-7-14(16-8-11)17-9-12(2)13(10-17)15(3,4)5;1-10-8-17(9-12(10)14(3,4)5)13-7-15-11(2)6-16-13;3*1-10-6-15-13(16-7-10)17-8-11(2)12(9-17)14(3,4)5;2*1-10-8-17(9-12(10)14(3,4)5)13-7-6-11(2)15-16-13;1-10-8-15(9-11(10)13(2,3)4)12(16)14(5)6-7-14;1-8-6-11(14(5,12)13)7-9(8)10(2,3)4/h7-9,13-14H,6,10-11H2,1-5H3;6-7,10,12H,2,8-9,16H2,1,3-5H3;7-8,12-13H,6,9-10H2,1-5H3;2*6-8,12-13H,9-10H2,1-5H3;6-7,10,12H,8-9H2,1-5H3;3*6-7,11-12H,8-9H2,1-5H3;2*6-7,10,12H,8-9H2,1-5H3;10-11H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3
InChIKeyBWWWGJZCHJGJKL-UHFFFAOYSA-N
XLogP38.64
TPSA364.26 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.77
LogP ≤ 538.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine?
The IUPAC name of 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine (CID 157487570) is 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine.
What is the SMILES notation for 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine?
The canonical SMILES for 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine is C=C(N)c1ccnc(N2CC(C)C(C(C)(C)C)C2)n1.CC1CN(C(=O)C2(C)CC2)CC1C(C)(C)C.CC1CN(S(C)(=O)=O)CC1C(C)(C)C.CCC1CN(c2ccc(C)cn2)CC1C(C)(C)C.CCC1CN(c2ncc(C)cn2)CC1C(C)(C)C.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1ccc(N2CC(C)C(C(C)(C)C)C2)nn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)cn1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.Cc1cnc(N2CC(C)C(C(C)(C)C)C2)nc1.
What is the InChIKey of 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine?
The InChIKey is BWWWGJZCHJGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H24N4.C15H25N3.2C15H24N2.6C14H23N3.C14H25NO.C10H21NO2S/c1-6-13-10-18(11-14(13)16(3,4)5)15-8-7-12(2)9-17-15;1-10-8-19(9-12(10)15(3,4)5)14-17-7-6-13(18-14)11(2)16;1-6-12-9-18(10-13(12)15(3,4)5)14-16-7-11(2)8-17-14;2*1-11-6-7-14(16-8-11)17-9-12(2)13(10-17)15(3,4)5;1-10-8-17(9-12(10)14(3,4)5)13-7-15-11(2)6-16-13;3*1-10-6-15-13(16-7-10)17-8-11(2)12(9-17)14(3,4)5;2*1-10-8-17(9-12(10)14(3,4)5)13-7-6-11(2)15-16-13;1-10-8-15(9-11(10)13(2,3)4)12(16)14(5)6-7-14;1-8-6-11(14(5,12)13)7-9(8)10(2,3)4/h7-9,13-14H,6,10-11H2,1-5H3;6-7,10,12H,2,8-9,16H2,1,3-5H3;7-8,12-13H,6,9-10H2,1-5H3;2*6-8,12-13H,9-10H2,1-5H3;6-7,10,12H,8-9H2,1-5H3;3*6-7,11-12H,8-9H2,1-5H3;2*6-7,10,12H,8-9H2,1-5H3;10-11H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine?
2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine has a molecular weight of 3061.77 g/mol, XLogP of 38.64, 16 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine is sourced from PubChem (CID 157487570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).