About 1-amino-1,2-dimethylguanidine
1-amino-1,2-dimethylguanidine (PubChem CID 10034592) has the molecular formula C3H10N4
and a molecular weight of 102.14 g/mol. Its IUPAC name is 1-amino-1,2-dimethylguanidine.
Molecular Properties
| Compound Name | 1-amino-1,2-dimethylguanidine |
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| PubChem CID | 10034592 |
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| Molecular Formula | C3H10N4 |
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| Molecular Weight | 102.14 g/mol |
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| Exact Mass | 102.09 |
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| IUPAC Name | 1-amino-1,2-dimethylguanidine |
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| SMILES | C/N=C(\N)N(C)N |
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| InChI | InChI=1S/C3H10N4/c1-6-3(4)7(2)5/h5H2,1-2H3,(H2,4,6) |
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| InChIKey | NZSMMQLRKNEBMJ-UHFFFAOYSA-N |
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| XLogP | -1.26 |
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| TPSA | 67.64 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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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 | 102.14 |
| LogP ≤ 5 | -1.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 1-amino-1,2-dimethylguanidine?
The IUPAC name of 1-amino-1,2-dimethylguanidine (CID 10034592) is 1-amino-1,2-dimethylguanidine.
What is the SMILES notation for 1-amino-1,2-dimethylguanidine?
The canonical SMILES for 1-amino-1,2-dimethylguanidine is C/N=C(\N)N(C)N.
What is the InChIKey of 1-amino-1,2-dimethylguanidine?
The InChIKey is NZSMMQLRKNEBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4/c1-6-3(4)7(2)5/h5H2,1-2H3,(H2,4,6).
What are the key properties of 1-amino-1,2-dimethylguanidine?
1-amino-1,2-dimethylguanidine has a molecular weight of 102.14 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,2-dimethylguanidine is sourced from PubChem (CID 10034592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).