About 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+))
3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) (PubChem CID 160836419) has the molecular formula C20H38N4ORb2
and a molecular weight of 521.49 g/mol. Its IUPAC name is 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)).
Molecular Properties
| Compound Name | 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) |
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| PubChem CID | 160836419 |
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| Molecular Formula | C20H38N4ORb2 |
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| Molecular Weight | 521.49 g/mol |
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| Exact Mass | 520.13 |
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| IUPAC Name | 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) |
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| SMILES | CC(C)(C)N1CC2CCC(C1)[N-]2.CC(C)(C)N1CC2[N-]CCOC2C1.[Rb+].[Rb+] |
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| InChI | InChI=1S/C10H19N2O.C10H19N2.2Rb/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;;/h8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;;/q2*-1;2*+1 |
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| InChIKey | SHLSQGZWKBHEAZ-UHFFFAOYSA-N |
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| XLogP | -2.75 |
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| TPSA | 43.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.49 |
| LogP ≤ 5 | -2.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+))?
The IUPAC name of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) (CID 160836419) is 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)).
What is the SMILES notation for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+))?
The canonical SMILES for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) is CC(C)(C)N1CC2CCC(C1)[N-]2.CC(C)(C)N1CC2[N-]CCOC2C1.[Rb+].[Rb+].
What is the InChIKey of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+))?
The InChIKey is SHLSQGZWKBHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O.C10H19N2.2Rb/c1-10(2,3)12-6-8-9(7-12)13-5-4-11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;;/h8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;;/q2*-1;2*+1.
What are the key properties of 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+))?
3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) has a molecular weight of 521.49 g/mol, XLogP of -2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;bis(rubidium(1+)) is sourced from PubChem (CID 160836419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).