About N-[(Z)-3-methylpent-1-enyl]methanimine
N-[(Z)-3-methylpent-1-enyl]methanimine (PubChem CID 89064206) has the molecular formula C7H13N
and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(Z)-3-methylpent-1-enyl]methanimine.
Molecular Properties
| Compound Name | N-[(Z)-3-methylpent-1-enyl]methanimine |
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| PubChem CID | 89064206 |
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| Molecular Formula | C7H13N |
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| Molecular Weight | 111.19 g/mol |
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| Exact Mass | 111.10 |
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| IUPAC Name | N-[(Z)-3-methylpent-1-enyl]methanimine |
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| SMILES | C=N/C=C\C(C)CC |
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| InChI | InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-7H,3-4H2,1-2H3/b6-5- |
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| InChIKey | RTGUZYJIOBNNMA-WAYWQWQTSA-N |
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| XLogP | 2.25 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 111.19 |
| LogP ≤ 5 | 2.25 |
| 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-[(Z)-3-methylpent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-3-methylpent-1-enyl]methanimine (CID 89064206) is N-[(Z)-3-methylpent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-3-methylpent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-3-methylpent-1-enyl]methanimine is C=N/C=C\C(C)CC.
What is the InChIKey of N-[(Z)-3-methylpent-1-enyl]methanimine?
The InChIKey is RTGUZYJIOBNNMA-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-7H,3-4H2,1-2H3/b6-5-.
What are the key properties of N-[(Z)-3-methylpent-1-enyl]methanimine?
N-[(Z)-3-methylpent-1-enyl]methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylpent-1-enyl]methanimine is sourced from PubChem (CID 89064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).