About N-[(Z)-but-3-en-2-ylideneamino]ethanamine
N-[(Z)-but-3-en-2-ylideneamino]ethanamine (PubChem CID 89271867) has the molecular formula C6H12N2
and a molecular weight of 112.18 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]ethanamine.
Molecular Properties
| Compound Name | N-[(Z)-but-3-en-2-ylideneamino]ethanamine |
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| PubChem CID | 89271867 |
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| Molecular Formula | C6H12N2 |
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| Molecular Weight | 112.18 g/mol |
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| Exact Mass | 112.10 |
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| IUPAC Name | N-[(Z)-but-3-en-2-ylideneamino]ethanamine |
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| SMILES | C=C/C(C)=N\NCC |
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| InChI | InChI=1S/C6H12N2/c1-4-6(3)8-7-5-2/h4,7H,1,5H2,2-3H3/b8-6- |
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| InChIKey | REPZGSQBGKDUME-VURMDHGXSA-N |
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| XLogP | 1.16 |
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| TPSA | 24.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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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 |
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| MW ≤ 500 | 112.18 |
| LogP ≤ 5 | 1.16 |
| H-Bond Donors ≤ 5 | 1 |
| 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-[(Z)-but-3-en-2-ylideneamino]ethanamine?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]ethanamine (CID 89271867) is N-[(Z)-but-3-en-2-ylideneamino]ethanamine.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]ethanamine?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]ethanamine is C=C/C(C)=N\NCC.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]ethanamine?
The InChIKey is REPZGSQBGKDUME-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(3)8-7-5-2/h4,7H,1,5H2,2-3H3/b8-6-.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]ethanamine?
N-[(Z)-but-3-en-2-ylideneamino]ethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]ethanamine is sourced from PubChem (CID 89271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).