About N-(but-2-enylideneamino)-N-ethylethanamine
N-(but-2-enylideneamino)-N-ethylethanamine (PubChem CID 580718) has the molecular formula C8H16N2
and a molecular weight of 140.23 g/mol. Its IUPAC name is N-(but-2-enylideneamino)-N-ethylethanamine.
Molecular Properties
| Compound Name | N-(but-2-enylideneamino)-N-ethylethanamine |
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| PubChem CID | 580718 |
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| Molecular Formula | C8H16N2 |
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| Molecular Weight | 140.23 g/mol |
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| Exact Mass | 140.13 |
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| IUPAC Name | N-(but-2-enylideneamino)-N-ethylethanamine |
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| SMILES | CC=CC=NN(CC)CC |
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| InChI | InChI=1S/C8H16N2/c1-4-7-8-9-10(5-2)6-3/h4,7-8H,5-6H2,1-3H3 |
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| InChIKey | DJLGQXBRZAYBJR-UHFFFAOYSA-N |
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| XLogP | 1.89 |
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| TPSA | 15.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 140.23 |
| LogP ≤ 5 | 1.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(but-2-enylideneamino)-N-ethylethanamine?
The IUPAC name of N-(but-2-enylideneamino)-N-ethylethanamine (CID 580718) is N-(but-2-enylideneamino)-N-ethylethanamine.
What is the SMILES notation for N-(but-2-enylideneamino)-N-ethylethanamine?
The canonical SMILES for N-(but-2-enylideneamino)-N-ethylethanamine is CC=CC=NN(CC)CC.
What is the InChIKey of N-(but-2-enylideneamino)-N-ethylethanamine?
The InChIKey is DJLGQXBRZAYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7-8-9-10(5-2)6-3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of N-(but-2-enylideneamino)-N-ethylethanamine?
N-(but-2-enylideneamino)-N-ethylethanamine has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-2-enylideneamino)-N-ethylethanamine is sourced from PubChem (CID 580718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).