About N-[(2S)-2-methoxypropyl]methanimine
N-[(2S)-2-methoxypropyl]methanimine (PubChem CID 149294399) has the molecular formula C5H11NO
and a molecular weight of 101.15 g/mol. Its IUPAC name is N-[(2S)-2-methoxypropyl]methanimine.
Molecular Properties
| Compound Name | N-[(2S)-2-methoxypropyl]methanimine |
|---|
| PubChem CID | 149294399 |
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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 | N-[(2S)-2-methoxypropyl]methanimine |
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| SMILES | C=NC[C@H](C)OC |
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| InChI | InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,2,4H2,1,3H3/t5-/m0/s1 |
|---|
| InChIKey | XVMLIJXUAPYRNZ-YFKPBYRVSA-N |
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| XLogP | 0.72 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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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 | 0.72 |
| H-Bond Donors ≤ 5 | 0 |
| 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 N-[(2S)-2-methoxypropyl]methanimine?
The IUPAC name of N-[(2S)-2-methoxypropyl]methanimine (CID 149294399) is N-[(2S)-2-methoxypropyl]methanimine.
What is the SMILES notation for N-[(2S)-2-methoxypropyl]methanimine?
The canonical SMILES for N-[(2S)-2-methoxypropyl]methanimine is C=NC[C@H](C)OC.
What is the InChIKey of N-[(2S)-2-methoxypropyl]methanimine?
The InChIKey is XVMLIJXUAPYRNZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,2,4H2,1,3H3/t5-/m0/s1.
What are the key properties of N-[(2S)-2-methoxypropyl]methanimine?
N-[(2S)-2-methoxypropyl]methanimine has a molecular weight of 101.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxypropyl]methanimine is sourced from PubChem (CID 149294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).