About N'-(aminomethyl)-N'-prop-2-enylmethanediamine
N'-(aminomethyl)-N'-prop-2-enylmethanediamine (PubChem CID 170275951) has the molecular formula C5H13N3
and a molecular weight of 115.18 g/mol. Its IUPAC name is N'-(aminomethyl)-N'-prop-2-enylmethanediamine.
Molecular Properties
| Compound Name | N'-(aminomethyl)-N'-prop-2-enylmethanediamine |
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| PubChem CID | 170275951 |
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| Molecular Formula | C5H13N3 |
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| Molecular Weight | 115.18 g/mol |
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| Exact Mass | 115.11 |
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| IUPAC Name | N'-(aminomethyl)-N'-prop-2-enylmethanediamine |
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| SMILES | C=CCN(CN)CN |
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| InChI | InChI=1S/C5H13N3/c1-2-3-8(4-6)5-7/h2H,1,3-7H2 |
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| InChIKey | PAILFLDOTRPYEP-UHFFFAOYSA-N |
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| XLogP | -0.69 |
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| TPSA | 55.28 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 8 |
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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 | 115.18 |
| LogP ≤ 5 | -0.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(aminomethyl)-N'-prop-2-enylmethanediamine?
The IUPAC name of N'-(aminomethyl)-N'-prop-2-enylmethanediamine (CID 170275951) is N'-(aminomethyl)-N'-prop-2-enylmethanediamine.
What is the SMILES notation for N'-(aminomethyl)-N'-prop-2-enylmethanediamine?
The canonical SMILES for N'-(aminomethyl)-N'-prop-2-enylmethanediamine is C=CCN(CN)CN.
What is the InChIKey of N'-(aminomethyl)-N'-prop-2-enylmethanediamine?
The InChIKey is PAILFLDOTRPYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-3-8(4-6)5-7/h2H,1,3-7H2.
What are the key properties of N'-(aminomethyl)-N'-prop-2-enylmethanediamine?
N'-(aminomethyl)-N'-prop-2-enylmethanediamine has a molecular weight of 115.18 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)-N'-prop-2-enylmethanediamine is sourced from PubChem (CID 170275951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).