About (Z)-1-(methylideneamino)but-1-en-2-amine
(Z)-1-(methylideneamino)but-1-en-2-amine (PubChem CID 142107280) has the molecular formula C5H10N2
and a molecular weight of 98.15 g/mol. Its IUPAC name is (Z)-1-(methylideneamino)but-1-en-2-amine.
Molecular Properties
| Compound Name | (Z)-1-(methylideneamino)but-1-en-2-amine |
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| PubChem CID | 142107280 |
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| Molecular Formula | C5H10N2 |
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| Molecular Weight | 98.15 g/mol |
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| Exact Mass | 98.08 |
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| IUPAC Name | (Z)-1-(methylideneamino)but-1-en-2-amine |
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| SMILES | C=N/C=C(\N)CC |
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| InChI | InChI=1S/C5H10N2/c1-3-5(6)4-7-2/h4H,2-3,6H2,1H3/b5-4- |
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| InChIKey | DONGGVRGCFMLSQ-PLNGDYQASA-N |
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| XLogP | 0.90 |
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| TPSA | 38.38 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 | 7 |
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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 | 98.15 |
| LogP ≤ 5 | 0.90 |
| 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 (Z)-1-(methylideneamino)but-1-en-2-amine?
The IUPAC name of (Z)-1-(methylideneamino)but-1-en-2-amine (CID 142107280) is (Z)-1-(methylideneamino)but-1-en-2-amine.
What is the SMILES notation for (Z)-1-(methylideneamino)but-1-en-2-amine?
The canonical SMILES for (Z)-1-(methylideneamino)but-1-en-2-amine is C=N/C=C(\N)CC.
What is the InChIKey of (Z)-1-(methylideneamino)but-1-en-2-amine?
The InChIKey is DONGGVRGCFMLSQ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(6)4-7-2/h4H,2-3,6H2,1H3/b5-4-.
What are the key properties of (Z)-1-(methylideneamino)but-1-en-2-amine?
(Z)-1-(methylideneamino)but-1-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methylideneamino)but-1-en-2-amine is sourced from PubChem (CID 142107280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).