C237H467F2N13O4 — CID 159369792
1-cyclopropyl-2-(2-methylpropyl)pyrrolidine;(2R)-4-fluoro-1,4-dimethyl-2-(2-methylpropyl)pyrrolidine;1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;1-methylidene-3-(2-methylpropyl)cyclopentane;(3R)-1-methylidene-3-(2-methylpropyl)cyclopentane;(3S)-1-methylidene-3-(2-methylpropyl)cyclopentane;1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5S)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5R)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;1-methyl-2-(2-methylpropyl)pyrrolidine;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylcyclohexane;hexakis(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;(5R)-5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 159369792) has the molecular formula C237H467F2N13O4 and a molecular weight of 3601.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methylpropyl)pyrrolidine;(2R)-4-fluoro-1,4-dimethyl-2-(2-methylpropyl)pyrrolidine;1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;1-methylidene-3-(2-methylpropyl)cyclopentane;(3R)-1-methylidene-3-(2-methylpropyl)cyclopentane;(3S)-1-methylidene-3-(2-methylpropyl)cyclopentane;1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5S)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5R)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;1-methyl-2-(2-methylpropyl)pyrrolidine;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylcyclohexane;hexakis(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;(5R)-5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine.
| Compound Name | 1-cyclopropyl-2-(2-methylpropyl)pyrrolidine;(2R)-4-fluoro-1,4-dimethyl-2-(2-methylpropyl)pyrrolidine;1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;1-methylidene-3-(2-methylpropyl)cyclopentane;(3R)-1-methylidene-3-(2-methylpropyl)cyclopentane;(3S)-1-methylidene-3-(2-methylpropyl)cyclopentane;1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5S)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5R)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;1-methyl-2-(2-methylpropyl)pyrrolidine;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylcyclohexane;hexakis(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;(5R)-5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine |
|---|---|
| PubChem CID | 159369792 |
| Molecular Formula | C237H467F2N13O4 |
| Molecular Weight | 3601.43 g/mol |
| Exact Mass | 3598.67 |
| IUPAC Name | 1-cyclopropyl-2-(2-methylpropyl)pyrrolidine;(2R)-4-fluoro-1,4-dimethyl-2-(2-methylpropyl)pyrrolidine;1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;1-methylidene-3-(2-methylpropyl)cyclopentane;(3R)-1-methylidene-3-(2-methylpropyl)cyclopentane;(3S)-1-methylidene-3-(2-methylpropyl)cyclopentane;1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5S)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;(5R)-1-methyl-2-methylidene-5-(2-methylpropyl)pyrrolidine;1-methyl-2-(2-methylpropyl)pyrrolidine;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylcyclohexane;hexakis(2-methylpropylcyclopentane);2-(2-methylpropyl)oxane;(5R)-5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine |
| SMILES | C=C1CCC(CC(C)C)C1.C=C1CCC(CC(C)C)N1C.C=C1CC[C@@H](CC(C)C)C1.C=C1CC[C@@H](CC(C)C)N1C.C=C1CC[C@H](CC(C)C)C1.C=C1CC[C@H](CC(C)C)N1C.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCN1.CC(C)CC1CCCCO1.CC(C)CC1CCCN1C.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCCN1C1CC1.CC(C)CC1CCCN1CCF.CC(C)CCN1CCCC1.CC(C)CCN1CCCC1=O.CC(C)C[C@@H]1CC(C)(F)CN1C.CC(C)C[C@@H]1CCCN1C.CC(C)C[C@H]1CCC(=O)O1.CC(C)C[C@H]1CCCN1C |
| InChI | InChI=1S/C11H21N.C11H23N.2C10H20FN.3C10H19N.3C10H18.C10H20.C9H17NO.5C9H19N.C9H18O.6C9H18.C8H14O2/c1-9(2)8-11-4-3-7-12(11)10-5-6-10;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)5-9-6-10(3,11)7-12(9)4;1-9(2)8-10-4-3-6-12(10)7-5-11;3*1-8(2)7-10-6-5-9(3)11(10)4;3*1-8(2)6-10-5-4-9(3)7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)5-7-10-6-3-4-9(10)11;3*1-8(2)7-9-5-4-6-10(9)3;1-9(2)5-8-10-6-3-4-7-10;2*1-8(2)7-9-5-3-4-6-10-9;6*1-8(2)7-9-5-3-4-6-9;1-6(2)5-7-3-4-8(9)10-7/h9-11H,3-8H2,1-2H3;9-11H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;3*8,10H,3,5-7H2,1-2,4H3;3*8,10H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;6*8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3/t;;9-,10?;;2*10-;;2*10-;;;;2*9-;;;;;;;;;;;7-/m..1.10.10...10..........1/s1 |
| InChIKey | LJPAXBYRSXBBOT-BOFUHJLPSA-N |
| XLogP | 68.21 |
| TPSA | 103.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3601.43 |
| LogP ≤ 5 | 68.21 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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