About 2-(methoxymethyl)prop-2-en-1-amine
2-(methoxymethyl)prop-2-en-1-amine (PubChem CID 103074361) has the molecular formula C5H11NO
and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(methoxymethyl)prop-2-en-1-amine.
Molecular Properties
| Compound Name | 2-(methoxymethyl)prop-2-en-1-amine |
|---|
| PubChem CID | 103074361 |
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| Molecular Formula | C5H11NO |
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| Molecular Weight | 101.15 g/mol |
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| Exact Mass | 101.08 |
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| IUPAC Name | 2-(methoxymethyl)prop-2-en-1-amine |
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| SMILES | C=C(CN)COC |
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| InChI | InChI=1S/C5H11NO/c1-5(3-6)4-7-2/h1,3-4,6H2,2H3 |
|---|
| InChIKey | CXEXSZSLNCRCLC-UHFFFAOYSA-N |
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| XLogP | 0.15 |
|---|
| TPSA | 35.25 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 | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 101.15 |
| LogP ≤ 5 | 0.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(methoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(methoxymethyl)prop-2-en-1-amine (CID 103074361) is 2-(methoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(methoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(methoxymethyl)prop-2-en-1-amine is C=C(CN)COC.
What is the InChIKey of 2-(methoxymethyl)prop-2-en-1-amine?
The InChIKey is CXEXSZSLNCRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(3-6)4-7-2/h1,3-4,6H2,2H3.
What are the key properties of 2-(methoxymethyl)prop-2-en-1-amine?
2-(methoxymethyl)prop-2-en-1-amine has a molecular weight of 101.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).