About (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane (PubChem CID 145396354) has the molecular formula C21H49N3O6
and a molecular weight of 439.64 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane.
Molecular Properties
| Compound Name | (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane |
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| PubChem CID | 145396354 |
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| Molecular Formula | C21H49N3O6 |
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| Molecular Weight | 439.64 g/mol |
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| Exact Mass | 439.36 |
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| IUPAC Name | (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane |
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| SMILES | CC.CC(C)C.CCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO |
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| InChI | InChI=1S/C15H33N3O6.C4H10.C2H6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19;1-4(2)3;1-2/h13,19H,2-12,14,16-17H2,1H3;4H,1-3H3;1-2H3/b15-13-;; |
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| InChIKey | PUXDCUALYXIHSW-FQGJLALVSA-N |
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| XLogP | 1.75 |
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| TPSA | 121.66 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 30 |
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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 | 439.64 |
| LogP ≤ 5 | 1.75 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane?
The IUPAC name of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane (CID 145396354) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane is CC.CC(C)C.CCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane?
The InChIKey is PUXDCUALYXIHSW-FQGJLALVSA-N. The full InChI is InChI=1S/C15H33N3O6.C4H10.C2H6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19;1-4(2)3;1-2/h13,19H,2-12,14,16-17H2,1H3;4H,1-3H3;1-2H3/b15-13-;;.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane?
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane has a molecular weight of 439.64 g/mol, XLogP of 1.75, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane is sourced from PubChem (CID 145396354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).