About 1-(2-aminoethylidene)guanidine
1-(2-aminoethylidene)guanidine (PubChem CID 123548998) has the molecular formula C3H8N4
and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-(2-aminoethylidene)guanidine.
Molecular Properties
| Compound Name | 1-(2-aminoethylidene)guanidine |
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| PubChem CID | 123548998 |
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| Molecular Formula | C3H8N4 |
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| Molecular Weight | 100.12 g/mol |
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| Exact Mass | 100.07 |
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| IUPAC Name | 1-(2-aminoethylidene)guanidine |
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| SMILES | [H]/N=C(\N)N=CCN |
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| InChI | InChI=1S/C3H8N4/c4-1-2-7-3(5)6/h2H,1,4H2,(H3,5,6) |
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| InChIKey | PSMFGHKTCMJGPB-UHFFFAOYSA-N |
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| XLogP | -1.09 |
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| TPSA | 88.25 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 7 |
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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 | 100.12 |
| LogP ≤ 5 | -1.09 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-aminoethylidene)guanidine?
The IUPAC name of 1-(2-aminoethylidene)guanidine (CID 123548998) is 1-(2-aminoethylidene)guanidine.
What is the SMILES notation for 1-(2-aminoethylidene)guanidine?
The canonical SMILES for 1-(2-aminoethylidene)guanidine is [H]/N=C(\N)N=CCN.
What is the InChIKey of 1-(2-aminoethylidene)guanidine?
The InChIKey is PSMFGHKTCMJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c4-1-2-7-3(5)6/h2H,1,4H2,(H3,5,6).
What are the key properties of 1-(2-aminoethylidene)guanidine?
1-(2-aminoethylidene)guanidine has a molecular weight of 100.12 g/mol, XLogP of -1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylidene)guanidine is sourced from PubChem (CID 123548998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).