About 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine
5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine (PubChem CID 137481986) has the molecular formula C24H47N3
and a molecular weight of 377.66 g/mol. Its IUPAC name is 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine.
Molecular Properties
| Compound Name | 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine |
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| PubChem CID | 137481986 |
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| Molecular Formula | C24H47N3 |
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| Molecular Weight | 377.66 g/mol |
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| Exact Mass | 377.38 |
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| IUPAC Name | 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine |
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| SMILES | CCCC(CN)C1/C(=C(\C)CC)C1(C)CC1CNCC1CC(C)CCCN |
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| InChI | InChI=1S/C24H47N3/c1-6-9-19(14-26)23-22(18(4)7-2)24(23,5)13-21-16-27-15-20(21)12-17(3)10-8-11-25/h17,19-21,23,27H,6-16,25-26H2,1-5H3/b22-18- |
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| InChIKey | DOYGPTITAPXVMM-PYCFMQQDSA-N |
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| XLogP | 4.71 |
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| TPSA | 64.07 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 377.66 |
| LogP ≤ 5 | 4.71 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine?
The IUPAC name of 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine (CID 137481986) is 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine.
What is the SMILES notation for 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine?
The canonical SMILES for 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine is CCCC(CN)C1/C(=C(\C)CC)C1(C)CC1CNCC1CC(C)CCCN.
What is the InChIKey of 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine?
The InChIKey is DOYGPTITAPXVMM-PYCFMQQDSA-N. The full InChI is InChI=1S/C24H47N3/c1-6-9-19(14-26)23-22(18(4)7-2)24(23,5)13-21-16-27-15-20(21)12-17(3)10-8-11-25/h17,19-21,23,27H,6-16,25-26H2,1-5H3/b22-18-.
What are the key properties of 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine?
5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine has a molecular weight of 377.66 g/mol, XLogP of 4.71, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3Z)-2-(1-aminopentan-2-yl)-3-butan-2-ylidene-1-methylcyclopropyl]methyl]pyrrolidin-3-yl]-4-methylpentan-1-amine is sourced from PubChem (CID 137481986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).