About 2-ethylimidazolidin-1-amine
2-ethylimidazolidin-1-amine (PubChem CID 144555745) has the molecular formula C5H13N3
and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-ethylimidazolidin-1-amine.
Molecular Properties
| Compound Name | 2-ethylimidazolidin-1-amine |
| PubChem CID | 144555745 |
| Molecular Formula | C5H13N3 |
| Molecular Weight | 115.18 g/mol |
| Exact Mass | 115.11 |
| IUPAC Name | 2-ethylimidazolidin-1-amine |
| SMILES | CCC1NCCN1N |
| InChI | InChI=1S/C5H13N3/c1-2-5-7-3-4-8(5)6/h5,7H,2-4,6H2,1H3 |
| InChIKey | TWOLQNLYYCBIRY-UHFFFAOYSA-N |
| XLogP | -0.50 |
| TPSA | 41.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 8 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 115.18 |
| LogP ≤ 5 | -0.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethylimidazolidin-1-amine?
The IUPAC name of 2-ethylimidazolidin-1-amine (CID 144555745) is 2-ethylimidazolidin-1-amine.
What is the SMILES notation for 2-ethylimidazolidin-1-amine?
The canonical SMILES for 2-ethylimidazolidin-1-amine is CCC1NCCN1N.
What is the InChIKey of 2-ethylimidazolidin-1-amine?
The InChIKey is TWOLQNLYYCBIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-5-7-3-4-8(5)6/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-ethylimidazolidin-1-amine?
2-ethylimidazolidin-1-amine has a molecular weight of 115.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimidazolidin-1-amine is sourced from PubChem (CID 144555745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).