About 1-amino-1-ethylguanidine
1-amino-1-ethylguanidine (PubChem CID 19819531) has the molecular formula C3H10N4
and a molecular weight of 102.14 g/mol. Its IUPAC name is 1-amino-1-ethylguanidine.
Molecular Properties
| Compound Name | 1-amino-1-ethylguanidine |
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| PubChem CID | 19819531 |
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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-ethylguanidine |
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| SMILES | [H]/N=C(\N)N(N)CC |
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| InChI | InChI=1S/C3H10N4/c1-2-7(6)3(4)5/h2,6H2,1H3,(H3,4,5) |
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| InChIKey | VCVYRGALNOUXKZ-UHFFFAOYSA-N |
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| XLogP | -0.92 |
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| TPSA | 79.13 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 |
|---|
| MW ≤ 500 | 102.14 |
| LogP ≤ 5 | -0.92 |
| H-Bond Donors ≤ 5 | 3 |
| 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-ethylguanidine?
The IUPAC name of 1-amino-1-ethylguanidine (CID 19819531) is 1-amino-1-ethylguanidine.
What is the SMILES notation for 1-amino-1-ethylguanidine?
The canonical SMILES for 1-amino-1-ethylguanidine is [H]/N=C(\N)N(N)CC.
What is the InChIKey of 1-amino-1-ethylguanidine?
The InChIKey is VCVYRGALNOUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4/c1-2-7(6)3(4)5/h2,6H2,1H3,(H3,4,5).
What are the key properties of 1-amino-1-ethylguanidine?
1-amino-1-ethylguanidine has a molecular weight of 102.14 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethylguanidine is sourced from PubChem (CID 19819531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).