About 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine
3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine (PubChem CID 134502157) has the molecular formula C44H69N
and a molecular weight of 612.04 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine.
Molecular Properties
| Compound Name | 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine |
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| PubChem CID | 134502157 |
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| Molecular Formula | C44H69N |
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| Molecular Weight | 612.04 g/mol |
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| Exact Mass | 611.54 |
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| IUPAC Name | 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine |
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| SMILES | NC1CC(C2CCC(C3CCC(C4CCC(C5CC(C6CC6C6CC(C7CC(C8CC(C9CC9C9CC9)C8)C7)C6)C5)C4)C3)C2)C1 |
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| InChI | InChI=1S/C44H69N/c45-40-20-36(21-40)30-8-6-28(11-30)26-4-3-25(9-26)27-5-7-29(10-27)31-14-37(15-31)43-23-44(43)39-18-35(19-39)33-12-32(13-33)34-16-38(17-34)42-22-41(42)24-1-2-24/h24-44H,1-23,45H2 |
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| InChIKey | DNAIQUCWPOXKBG-UHFFFAOYSA-N |
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| XLogP | 10.76 |
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| TPSA | 26.02 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 612.04 |
| LogP ≤ 5 | 10.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Analyze 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine?
The IUPAC name of 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine (CID 134502157) is 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine is NC1CC(C2CCC(C3CCC(C4CCC(C5CC(C6CC6C6CC(C7CC(C8CC(C9CC9C9CC9)C8)C7)C6)C5)C4)C3)C2)C1.
What is the InChIKey of 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine?
The InChIKey is DNAIQUCWPOXKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H69N/c45-40-20-36(21-40)30-8-6-28(11-30)26-4-3-25(9-26)27-5-7-29(10-27)31-14-37(15-31)43-23-44(43)39-18-35(19-39)33-12-32(13-33)34-16-38(17-34)42-22-41(42)24-1-2-24/h24-44H,1-23,45H2.
What are the key properties of 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine?
3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine has a molecular weight of 612.04 g/mol, XLogP of 10.76, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine is sourced from PubChem (CID 134502157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).