About 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride (PubChem CID 88682849) has the molecular formula C16H36Cl2N6
and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride.
Molecular Properties
| Compound Name | 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride |
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| PubChem CID | 88682849 |
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| Molecular Formula | C16H36Cl2N6 |
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| Molecular Weight | 383.41 g/mol |
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| Exact Mass | 382.24 |
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| IUPAC Name | 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride |
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| SMILES | Cl.Cl.[H]/N=C(\N(CC)CC)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N(CC)CC |
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| InChI | InChI=1S/C16H34N6.2ClH/c1-9-21(10-2)13(17)15(5,6)19-20-16(7,8)14(18)22(11-3)12-4;;/h17-18H,9-12H2,1-8H3;2*1H/b17-13-,18-14-,20-19+;; |
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| InChIKey | CRNCJFPDKIKTCP-YYSBPJOASA-N |
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| XLogP | 4.48 |
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| TPSA | 78.90 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 24 |
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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 | 383.41 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The IUPAC name of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride (CID 88682849) is 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride.
What is the SMILES notation for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The canonical SMILES for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N(CC)CC)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N(CC)CC.
What is the InChIKey of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
The InChIKey is CRNCJFPDKIKTCP-YYSBPJOASA-N. The full InChI is InChI=1S/C16H34N6.2ClH/c1-9-21(10-2)13(17)15(5,6)19-20-16(7,8)14(18)22(11-3)12-4;;/h17-18H,9-12H2,1-8H3;2*1H/b17-13-,18-14-,20-19+;;.
What are the key properties of 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride?
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride is sourced from PubChem (CID 88682849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).