About N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane (PubChem CID 176530749) has the molecular formula C25H56N28
and a molecular weight of 748.92 g/mol. Its IUPAC name is N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane.
Molecular Properties
| Compound Name | N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane |
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| PubChem CID | 176530749 |
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| Molecular Formula | C25H56N28 |
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| Molecular Weight | 748.92 g/mol |
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| Exact Mass | 748.52 |
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| IUPAC Name | N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane |
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| SMILES | C.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N\N=C(N)N.[H]/N=C(\C)N/N=C\C(C)=N/N=C(N)N |
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| InChI | InChI=1S/4C6H13N7.CH4/c4*1-4(11-13-6(8)9)3-10-12-5(2)7;/h4*3H,1-2H3,(H2,7,12)(H4,8,9,13);1H4/b10-3-,11-4+;3*10-3-,11-4-; |
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| InChIKey | JFSMYQNPUBKTPO-QXHUBHJZSA-N |
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| XLogP | -3.16 |
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| TPSA | 507.50 Ų |
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| H-Bond Donors | 13 |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 748.92 |
| LogP ≤ 5 | -3.16 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The IUPAC name of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane (CID 176530749) is N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane.
What is the SMILES notation for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The canonical SMILES for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane is C.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N\N=C(N)N.[H]/N=C(\C)N/N=C\C(C)=N/N=C(N)N.
What is the InChIKey of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The InChIKey is JFSMYQNPUBKTPO-QXHUBHJZSA-N. The full InChI is InChI=1S/4C6H13N7.CH4/c4*1-4(11-13-6(8)9)3-10-12-5(2)7;/h4*3H,1-2H3,(H2,7,12)(H4,8,9,13);1H4/b10-3-,11-4+;3*10-3-,11-4-;.
What are the key properties of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane has a molecular weight of 748.92 g/mol, XLogP of -3.16, 12 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane is sourced from PubChem (CID 176530749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).