About N-cyclopropyl-4-(propylamino)butanamide
N-cyclopropyl-4-(propylamino)butanamide (PubChem CID 79394678) has the molecular formula C10H20N2O
and a molecular weight of 184.28 g/mol. Its IUPAC name is N-cyclopropyl-4-(propylamino)butanamide.
Molecular Properties
| Compound Name | N-cyclopropyl-4-(propylamino)butanamide |
| PubChem CID | 79394678 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.28 g/mol |
| Exact Mass | 184.16 |
| IUPAC Name | N-cyclopropyl-4-(propylamino)butanamide |
| SMILES | CCCNCCCC(=O)NC1CC1 |
| InChI | InChI=1S/C10H20N2O/c1-2-7-11-8-3-4-10(13)12-9-5-6-9/h9,11H,2-8H2,1H3,(H,12,13) |
| InChIKey | UKAHIWARBJAYCG-UHFFFAOYSA-N |
| XLogP | 1.04 |
| TPSA | 41.13 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 184.28 |
| LogP ≤ 5 | 1.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-4-(propylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(propylamino)butanamide (CID 79394678) is N-cyclopropyl-4-(propylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(propylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(propylamino)butanamide is CCCNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(propylamino)butanamide?
The InChIKey is UKAHIWARBJAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-7-11-8-3-4-10(13)12-9-5-6-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-4-(propylamino)butanamide?
N-cyclopropyl-4-(propylamino)butanamide has a molecular weight of 184.28 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(propylamino)butanamide is sourced from PubChem (CID 79394678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).