About N'-(2-aminoethyl)propane-1,3-diamine
N'-(2-aminoethyl)propane-1,3-diamine (PubChem CID 26091) has the molecular formula C5H15N3
and a molecular weight of 117.20 g/mol. Its IUPAC name is N'-(2-aminoethyl)propane-1,3-diamine.
Molecular Properties
| Compound Name | N'-(2-aminoethyl)propane-1,3-diamine |
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| PubChem CID | 26091 |
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| Molecular Formula | C5H15N3 |
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| Molecular Weight | 117.20 g/mol |
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| Exact Mass | 117.13 |
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| IUPAC Name | N'-(2-aminoethyl)propane-1,3-diamine |
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| SMILES | NCCCNCCN |
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| InChI | InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2 |
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| InChIKey | DTSDBGVDESRKKD-UHFFFAOYSA-N |
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| XLogP | -1.12 |
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| TPSA | 64.07 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 5 |
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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 | 117.20 |
| LogP ≤ 5 | -1.12 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(2-aminoethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-aminoethyl)propane-1,3-diamine (CID 26091) is N'-(2-aminoethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-aminoethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-aminoethyl)propane-1,3-diamine is NCCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)propane-1,3-diamine?
The InChIKey is DTSDBGVDESRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2.
What are the key properties of N'-(2-aminoethyl)propane-1,3-diamine?
N'-(2-aminoethyl)propane-1,3-diamine has a molecular weight of 117.20 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)propane-1,3-diamine is sourced from PubChem (CID 26091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).