About N'-propylmethanediimine
N'-propylmethanediimine (PubChem CID 18621664) has the molecular formula C4H8N2
and a molecular weight of 84.12 g/mol. Its IUPAC name is N'-propylmethanediimine.
Molecular Properties
| Compound Name | N'-propylmethanediimine |
|---|
| PubChem CID | 18621664 |
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| Molecular Formula | C4H8N2 |
|---|
| Molecular Weight | 84.12 g/mol |
|---|
| Exact Mass | 84.07 |
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| IUPAC Name | N'-propylmethanediimine |
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| SMILES | CCCN=C=N |
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| InChI | InChI=1S/C4H8N2/c1-2-3-6-4-5/h5H,2-3H2,1H3 |
|---|
| InChIKey | ADAMEOZKZQRNKP-UHFFFAOYSA-N |
|---|
| XLogP | 1.15 |
|---|
| TPSA | 36.21 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.12 |
| LogP ≤ 5 | 1.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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'-propylmethanediimine?
The IUPAC name of N'-propylmethanediimine (CID 18621664) is N'-propylmethanediimine.
What is the SMILES notation for N'-propylmethanediimine?
The canonical SMILES for N'-propylmethanediimine is CCCN=C=N.
What is the InChIKey of N'-propylmethanediimine?
The InChIKey is ADAMEOZKZQRNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-3-6-4-5/h5H,2-3H2,1H3.
What are the key properties of N'-propylmethanediimine?
N'-propylmethanediimine has a molecular weight of 84.12 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylmethanediimine is sourced from PubChem (CID 18621664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).