About N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 89433387) has the molecular formula C25H46NO5P
and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
Molecular Properties
| Compound Name | N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine |
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| PubChem CID | 89433387 |
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| Molecular Formula | C25H46NO5P |
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| Molecular Weight | 471.62 g/mol |
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| Exact Mass | 471.31 |
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| IUPAC Name | N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine |
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| SMILES | CCCOP(OCCOCCOCCOCC1[C@H]2CCC#CCC[C@@H]12)N(C(C)C)C(C)C |
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| InChI | InChI=1S/C25H46NO5P/c1-6-13-30-32(26(21(2)3)22(4)5)31-19-18-28-15-14-27-16-17-29-20-25-23-11-9-7-8-10-12-24(23)25/h21-25H,6,9-20H2,1-5H3/t23-,24+,25?,32? |
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| InChIKey | NDULURDZZNCWHQ-GDRODCIQSA-N |
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| XLogP | 5.26 |
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| TPSA | 49.39 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 471.62 |
| LogP ≤ 5 | 5.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Analyze N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 89433387) is N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine is CCCOP(OCCOCCOCCOCC1[C@H]2CCC#CCC[C@@H]12)N(C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is NDULURDZZNCWHQ-GDRODCIQSA-N. The full InChI is InChI=1S/C25H46NO5P/c1-6-13-30-32(26(21(2)3)22(4)5)31-19-18-28-15-14-27-16-17-29-20-25-23-11-9-7-8-10-12-24(23)25/h21-25H,6,9-20H2,1-5H3/t23-,24+,25?,32?.
What are the key properties of N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 471.62 g/mol, XLogP of 5.26, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 89433387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).