About 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine
2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine (PubChem CID 46215975) has the molecular formula C8H20N4O
and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine.
Molecular Properties
| Compound Name | 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine |
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| PubChem CID | 46215975 |
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| Molecular Formula | C8H20N4O |
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| Molecular Weight | 188.27 g/mol |
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| Exact Mass | 188.16 |
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| IUPAC Name | 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine |
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| SMILES | COCCN/C(N)=N/CCCCN |
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| InChI | InChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12) |
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| InChIKey | SJQJFADASWPDIQ-UHFFFAOYSA-N |
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| XLogP | -0.72 |
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| TPSA | 85.66 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 13 |
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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 | 188.27 |
| LogP ≤ 5 | -0.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine (CID 46215975) is 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine is COCCN/C(N)=N/CCCCN.
What is the InChIKey of 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine?
The InChIKey is SJQJFADASWPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12).
What are the key properties of 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine?
2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine has a molecular weight of 188.27 g/mol, XLogP of -0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 46215975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).