About N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine
N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine (PubChem CID 11820809) has the molecular formula C16H22N8
and a molecular weight of 326.41 g/mol. Its IUPAC name is N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine.
Molecular Properties
| Compound Name | N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine |
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| PubChem CID | 11820809 |
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| Molecular Formula | C16H22N8 |
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| Molecular Weight | 326.41 g/mol |
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| Exact Mass | 326.20 |
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| IUPAC Name | N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine |
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| SMILES | Cc1cc2c(c3ccccc13)C(=N\NC(N)N)/C(=N/NC(N)N)C2 |
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| InChI | InChI=1S/C16H22N8/c1-8-6-9-7-12(21-23-15(17)18)14(22-24-16(19)20)13(9)11-5-3-2-4-10(8)11/h2-6,15-16,23-24H,7,17-20H2,1H3/b21-12+,22-14- |
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| InChIKey | DLHBORRSXICQJR-UZSQJKSFSA-N |
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| XLogP | -0.65 |
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| TPSA | 152.86 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 326.41 |
| LogP ≤ 5 | -0.65 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine?
The IUPAC name of N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine (CID 11820809) is N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine.
What is the SMILES notation for N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine?
The canonical SMILES for N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine is Cc1cc2c(c3ccccc13)C(=N\NC(N)N)/C(=N/NC(N)N)C2.
What is the InChIKey of N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine?
The InChIKey is DLHBORRSXICQJR-UZSQJKSFSA-N. The full InChI is InChI=1S/C16H22N8/c1-8-6-9-7-12(21-23-15(17)18)14(22-24-16(19)20)13(9)11-5-3-2-4-10(8)11/h2-6,15-16,23-24H,7,17-20H2,1H3/b21-12+,22-14-.
What are the key properties of N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine?
N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine has a molecular weight of 326.41 g/mol, XLogP of -0.65, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine is sourced from PubChem (CID 11820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).