About (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine
(1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine (PubChem CID 11411095) has the molecular formula C34H40N2Se2
and a molecular weight of 634.63 g/mol. Its IUPAC name is (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine.
Molecular Properties
| Compound Name | (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine |
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| PubChem CID | 11411095 |
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| Molecular Formula | C34H40N2Se2 |
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| Molecular Weight | 634.63 g/mol |
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| Exact Mass | 636.15 |
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| IUPAC Name | (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine |
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| SMILES | C[C@H](c1ccccc1)N(C)[C@H](C)c1ccccc1[Se][Se]c1ccccc1[C@@H](C)N(C)[C@H](C)c1ccccc1 |
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| InChI | InChI=1S/C34H40N2Se2/c1-25(29-17-9-7-10-18-29)35(5)27(3)31-21-13-15-23-33(31)37-38-34-24-16-14-22-32(34)28(4)36(6)26(2)30-19-11-8-12-20-30/h7-28H,1-6H3/t25-,26-,27-,28-/m1/s1 |
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| InChIKey | HCXWMWWHHFJTHV-BIYDSLDMSA-N |
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| XLogP | 6.47 |
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| TPSA | 6.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 634.63 |
| LogP ≤ 5 | 6.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine (CID 11411095) is (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine is C[C@H](c1ccccc1)N(C)[C@H](C)c1ccccc1[Se][Se]c1ccccc1[C@@H](C)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine?
The InChIKey is HCXWMWWHHFJTHV-BIYDSLDMSA-N. The full InChI is InChI=1S/C34H40N2Se2/c1-25(29-17-9-7-10-18-29)35(5)27(3)31-21-13-15-23-33(31)37-38-34-24-16-14-22-32(34)28(4)36(6)26(2)30-19-11-8-12-20-30/h7-28H,1-6H3/t25-,26-,27-,28-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine?
(1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine has a molecular weight of 634.63 g/mol, XLogP of 6.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[(1R)-1-[2-[[2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]ethyl]phenyl]diselanyl]phenyl]ethyl]-1-phenylethanamine is sourced from PubChem (CID 11411095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).