About N-methyl-N-(prop-2-enoxymethyl)ethanamine
N-methyl-N-(prop-2-enoxymethyl)ethanamine (PubChem CID 155698339) has the molecular formula C7H15NO
and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methyl-N-(prop-2-enoxymethyl)ethanamine.
Molecular Properties
| Compound Name | N-methyl-N-(prop-2-enoxymethyl)ethanamine |
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| PubChem CID | 155698339 |
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| Molecular Formula | C7H15NO |
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| Molecular Weight | 129.20 g/mol |
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| Exact Mass | 129.12 |
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| IUPAC Name | N-methyl-N-(prop-2-enoxymethyl)ethanamine |
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| SMILES | C=CCOCN(C)CC |
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| InChI | InChI=1S/C7H15NO/c1-4-6-9-7-8(3)5-2/h4H,1,5-7H2,2-3H3 |
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| InChIKey | RVAQCXDZGRQWHS-UHFFFAOYSA-N |
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| XLogP | 1.10 |
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| TPSA | 12.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 9 |
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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 | 129.20 |
| LogP ≤ 5 | 1.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-(prop-2-enoxymethyl)ethanamine?
The IUPAC name of N-methyl-N-(prop-2-enoxymethyl)ethanamine (CID 155698339) is N-methyl-N-(prop-2-enoxymethyl)ethanamine.
What is the SMILES notation for N-methyl-N-(prop-2-enoxymethyl)ethanamine?
The canonical SMILES for N-methyl-N-(prop-2-enoxymethyl)ethanamine is C=CCOCN(C)CC.
What is the InChIKey of N-methyl-N-(prop-2-enoxymethyl)ethanamine?
The InChIKey is RVAQCXDZGRQWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6-9-7-8(3)5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-N-(prop-2-enoxymethyl)ethanamine?
N-methyl-N-(prop-2-enoxymethyl)ethanamine has a molecular weight of 129.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(prop-2-enoxymethyl)ethanamine is sourced from PubChem (CID 155698339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).