About 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine
1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine (PubChem CID 87845760) has the molecular formula C28H41N
and a molecular weight of 391.64 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine.
Molecular Properties
| Compound Name | 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine |
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| PubChem CID | 87845760 |
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| Molecular Formula | C28H41N |
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| Molecular Weight | 391.64 g/mol |
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| Exact Mass | 391.32 |
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| IUPAC Name | 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine |
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| SMILES | CCC1(C2(C3(C4(C5(C6(C7(C8(N9CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1 |
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| InChI | InChI=1S/C28H41N/c1-2-21(3-4-21)22(5-6-22)23(7-8-23)24(9-10-24)25(11-12-25)26(13-14-26)27(15-16-27)28(17-18-28)29-19-20-29/h2-20H2,1H3 |
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| InChIKey | SDHUPPBVNIMDGK-UHFFFAOYSA-N |
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| XLogP | 6.71 |
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| TPSA | 3.01 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 391.64 |
| LogP ≤ 5 | 6.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The IUPAC name of 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine (CID 87845760) is 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine.
What is the SMILES notation for 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The canonical SMILES for 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine is CCC1(C2(C3(C4(C5(C6(C7(C8(N9CC9)CC8)CC7)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The InChIKey is SDHUPPBVNIMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N/c1-2-21(3-4-21)22(5-6-22)23(7-8-23)24(9-10-24)25(11-12-25)26(13-14-26)27(15-16-27)28(17-18-28)29-19-20-29/h2-20H2,1H3.
What are the key properties of 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine has a molecular weight of 391.64 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-[1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]aziridine is sourced from PubChem (CID 87845760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).