About cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride
cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride (PubChem CID 159526811) has the molecular formula C60H117FN6O
and a molecular weight of 959.64 g/mol. Its IUPAC name is cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride.
Molecular Properties
| Compound Name | cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride |
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| PubChem CID | 159526811 |
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| Molecular Formula | C60H117FN6O |
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| Molecular Weight | 959.64 g/mol |
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| Exact Mass | 958.94 |
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| IUPAC Name | cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride |
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| SMILES | C.C.CC(C)C1CCCCN1C.CC(C)N1CCC(c2ccc(F)cc2)CC1.CC(C)N1CCCC1=O.CC(C)c1ccccc1.CCN1CCC(C(C)C)C1.CCN1CCCC1C(C)C.CN.[H][3H] |
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| InChI | InChI=1S/C14H20FN.3C9H19N.C9H12.C7H13NO.CH5N.2CH4.H2/c1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12;1-8(2)9-6-4-5-7-10(9)3;1-4-10-6-5-9(7-10)8(2)3;1-4-10-7-5-6-9(10)8(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9;1-2;;;/h3-6,11,13H,7-10H2,1-2H3;3*8-9H,4-7H2,1-3H3;3-8H,1-2H3;6H,3-5H2,1-2H3;2H2,1H3;2*1H4;1H/i;;;;;;;;;1+2 |
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| InChIKey | MCMKEYBTTYRMMJ-JYHSBYLBSA-N |
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| XLogP | 14.57 |
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| TPSA | 59.29 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 959.64 |
| LogP ≤ 5 | 14.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride with MolForge
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Frequently Asked Questions
What is the IUPAC name of cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride?
The IUPAC name of cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride (CID 159526811) is cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride.
What is the SMILES notation for cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride?
The canonical SMILES for cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride is C.C.CC(C)C1CCCCN1C.CC(C)N1CCC(c2ccc(F)cc2)CC1.CC(C)N1CCCC1=O.CC(C)c1ccccc1.CCN1CCC(C(C)C)C1.CCN1CCCC1C(C)C.CN.[H][3H].
What is the InChIKey of cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride?
The InChIKey is MCMKEYBTTYRMMJ-JYHSBYLBSA-N. The full InChI is InChI=1S/C14H20FN.3C9H19N.C9H12.C7H13NO.CH5N.2CH4.H2/c1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12;1-8(2)9-6-4-5-7-10(9)3;1-4-10-6-5-9(7-10)8(2)3;1-4-10-7-5-6-9(10)8(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9;1-2;;;/h3-6,11,13H,7-10H2,1-2H3;3*8-9H,4-7H2,1-3H3;3-8H,1-2H3;6H,3-5H2,1-2H3;2H2,1H3;2*1H4;1H/i;;;;;;;;;1+2.
What are the key properties of cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride?
cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride has a molecular weight of 959.64 g/mol, XLogP of 14.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-ethyl-2-propan-2-ylpyrrolidine;1-ethyl-3-propan-2-ylpyrrolidine;4-(4-fluorophenyl)-1-propan-2-ylpiperidine;methanamine;methane;1-methyl-2-propan-2-ylpiperidine;1-propan-2-ylpyrrolidin-2-one;tritium monohydride is sourced from PubChem (CID 159526811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).