About N-propylbutan-1-imine
N-propylbutan-1-imine (PubChem CID 10866301) has the molecular formula C7H15N
and a molecular weight of 113.20 g/mol. Its IUPAC name is N-propylbutan-1-imine.
Molecular Properties
| Compound Name | N-propylbutan-1-imine |
|---|
| PubChem CID | 10866301 |
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| Molecular Formula | C7H15N |
|---|
| Molecular Weight | 113.20 g/mol |
|---|
| Exact Mass | 113.12 |
|---|
| IUPAC Name | N-propylbutan-1-imine |
|---|
| SMILES | CCC/C=N/CCC |
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| InChI | InChI=1S/C7H15N/c1-3-5-7-8-6-4-2/h7H,3-6H2,1-2H3/b8-7+ |
|---|
| InChIKey | PDWIZOPOIRSYIG-BQYQJAHWSA-N |
|---|
| XLogP | 2.27 |
|---|
| TPSA | 12.36 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 8 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 113.20 |
| LogP ≤ 5 | 2.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of N-propylbutan-1-imine?
The IUPAC name of N-propylbutan-1-imine (CID 10866301) is N-propylbutan-1-imine.
What is the SMILES notation for N-propylbutan-1-imine?
The canonical SMILES for N-propylbutan-1-imine is CCC/C=N/CCC.
What is the InChIKey of N-propylbutan-1-imine?
The InChIKey is PDWIZOPOIRSYIG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15N/c1-3-5-7-8-6-4-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of N-propylbutan-1-imine?
N-propylbutan-1-imine has a molecular weight of 113.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbutan-1-imine is sourced from PubChem (CID 10866301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).