About N'-ethyl-N'-methylbutane-1,4-diamine
N'-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 11344037) has the molecular formula C7H18N2
and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-ethyl-N'-methylbutane-1,4-diamine.
Molecular Properties
| Compound Name | N'-ethyl-N'-methylbutane-1,4-diamine |
|---|
| PubChem CID | 11344037 |
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| Molecular Formula | C7H18N2 |
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| Molecular Weight | 130.23 g/mol |
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| Exact Mass | 130.15 |
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| IUPAC Name | N'-ethyl-N'-methylbutane-1,4-diamine |
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| SMILES | CCN(C)CCCCN |
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| InChI | InChI=1S/C7H18N2/c1-3-9(2)7-5-4-6-8/h3-8H2,1-2H3 |
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| InChIKey | BGXVZJGJANSSCI-UHFFFAOYSA-N |
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| XLogP | 0.68 |
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| TPSA | 29.26 Ų |
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| H-Bond Donors | 1 |
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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 |
|---|
| MW ≤ 500 | 130.23 |
| LogP ≤ 5 | 0.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-methylbutane-1,4-diamine (CID 11344037) is N'-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-methylbutane-1,4-diamine is CCN(C)CCCCN.
What is the InChIKey of N'-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is BGXVZJGJANSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-9(2)7-5-4-6-8/h3-8H2,1-2H3.
What are the key properties of N'-ethyl-N'-methylbutane-1,4-diamine?
N'-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 11344037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).