About ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine (PubChem CID 144977225) has the molecular formula C7H19FN2
and a molecular weight of 150.24 g/mol. Its IUPAC name is ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine.
Molecular Properties
| Compound Name | ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine |
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| PubChem CID | 144977225 |
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| Molecular Formula | C7H19FN2 |
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| Molecular Weight | 150.24 g/mol |
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| Exact Mass | 150.15 |
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| IUPAC Name | ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine |
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| SMILES | CC.CC(F)CN(C)CN |
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| InChI | InChI=1S/C5H13FN2.C2H6/c1-5(6)3-8(2)4-7;1-2/h5H,3-4,7H2,1-2H3;1-2H3 |
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| InChIKey | APUDLXHAQAJDQM-UHFFFAOYSA-N |
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| XLogP | 1.22 |
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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 | 3 |
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| Heavy Atoms | 10 |
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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 | 150.24 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine?
The IUPAC name of ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine (CID 144977225) is ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine.
What is the SMILES notation for ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine?
The canonical SMILES for ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine is CC.CC(F)CN(C)CN.
What is the InChIKey of ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine?
The InChIKey is APUDLXHAQAJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2.C2H6/c1-5(6)3-8(2)4-7;1-2/h5H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine?
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine has a molecular weight of 150.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine is sourced from PubChem (CID 144977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).