About cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile
cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile (PubChem CID 143621523) has the molecular formula C37H56N2
and a molecular weight of 528.87 g/mol. Its IUPAC name is cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile.
Molecular Properties
| Compound Name | cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile |
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| PubChem CID | 143621523 |
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| Molecular Formula | C37H56N2 |
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| Molecular Weight | 528.87 g/mol |
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| Exact Mass | 528.44 |
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| IUPAC Name | cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile |
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| SMILES | C1CCCC1.C=C(C)CCCN.C=C(CCC)C(C)C.C=C(CCC)c1ccc(-c2ccccc2C#N)cc1 |
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| InChI | InChI=1S/C18H17N.C8H16.C6H13N.C5H10/c1-3-6-14(2)15-9-11-16(12-10-15)18-8-5-4-7-17(18)13-19;1-5-6-8(4)7(2)3;1-6(2)4-3-5-7;1-2-4-5-3-1/h4-5,7-12H,2-3,6H2,1H3;7H,4-6H2,1-3H3;1,3-5,7H2,2H3;1-5H2 |
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| InChIKey | LOVBMYSCVWOHSZ-UHFFFAOYSA-N |
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| XLogP | 11.29 |
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| TPSA | 49.81 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 528.87 |
| LogP ≤ 5 | 11.29 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The IUPAC name of cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile (CID 143621523) is cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile.
What is the SMILES notation for cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The canonical SMILES for cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile is C1CCCC1.C=C(C)CCCN.C=C(CCC)C(C)C.C=C(CCC)c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile?
The InChIKey is LOVBMYSCVWOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.C8H16.C6H13N.C5H10/c1-3-6-14(2)15-9-11-16(12-10-15)18-8-5-4-7-17(18)13-19;1-5-6-8(4)7(2)3;1-6(2)4-3-5-7;1-2-4-5-3-1/h4-5,7-12H,2-3,6H2,1H3;7H,4-6H2,1-3H3;1,3-5,7H2,2H3;1-5H2.
What are the key properties of cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile?
cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile has a molecular weight of 528.87 g/mol, XLogP of 11.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-methyl-3-methylidenehexane;4-methylpent-4-en-1-amine;2-(4-pent-1-en-2-ylphenyl)benzonitrile is sourced from PubChem (CID 143621523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).