About N-(2-azidoethyl)-N,2-dimethylpropan-2-amine
N-(2-azidoethyl)-N,2-dimethylpropan-2-amine (PubChem CID 131223244) has the molecular formula C7H16N4
and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(2-azidoethyl)-N,2-dimethylpropan-2-amine.
Molecular Properties
| Compound Name | N-(2-azidoethyl)-N,2-dimethylpropan-2-amine |
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| PubChem CID | 131223244 |
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| Molecular Formula | C7H16N4 |
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| Molecular Weight | 156.23 g/mol |
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| Exact Mass | 156.14 |
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| IUPAC Name | N-(2-azidoethyl)-N,2-dimethylpropan-2-amine |
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| SMILES | CN(CCN=[N+]=[N-])C(C)(C)C |
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| InChI | InChI=1S/C7H16N4/c1-7(2,3)11(4)6-5-9-10-8/h5-6H2,1-4H3 |
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| InChIKey | QALIRBGNGAJPIM-UHFFFAOYSA-N |
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| XLogP | 2.03 |
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| TPSA | 52.00 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 | 11 |
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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 | 156.23 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-azidoethyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of N-(2-azidoethyl)-N,2-dimethylpropan-2-amine (CID 131223244) is N-(2-azidoethyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-(2-azidoethyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-(2-azidoethyl)-N,2-dimethylpropan-2-amine is CN(CCN=[N+]=[N-])C(C)(C)C.
What is the InChIKey of N-(2-azidoethyl)-N,2-dimethylpropan-2-amine?
The InChIKey is QALIRBGNGAJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-7(2,3)11(4)6-5-9-10-8/h5-6H2,1-4H3.
What are the key properties of N-(2-azidoethyl)-N,2-dimethylpropan-2-amine?
N-(2-azidoethyl)-N,2-dimethylpropan-2-amine has a molecular weight of 156.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 131223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).