About prop-1-ene-1,3-diamine;hydroiodide
prop-1-ene-1,3-diamine;hydroiodide (PubChem CID 173353144) has the molecular formula C3H9IN2
and a molecular weight of 200.02 g/mol. Its IUPAC name is prop-1-ene-1,3-diamine;hydroiodide.
Molecular Properties
| Compound Name | prop-1-ene-1,3-diamine;hydroiodide |
|---|
| PubChem CID | 173353144 |
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| Molecular Formula | C3H9IN2 |
|---|
| Molecular Weight | 200.02 g/mol |
|---|
| Exact Mass | 199.98 |
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| IUPAC Name | prop-1-ene-1,3-diamine;hydroiodide |
|---|
| SMILES | I.NC=CCN |
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| InChI | InChI=1S/C3H8N2.HI/c4-2-1-3-5;/h1-2H,3-5H2;1H |
|---|
| InChIKey | SMNWYHUJPVSMIS-UHFFFAOYSA-N |
|---|
| XLogP | 0.04 |
|---|
| TPSA | 52.04 Ų |
|---|
| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 200.02 |
| LogP ≤ 5 | 0.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of prop-1-ene-1,3-diamine;hydroiodide?
The IUPAC name of prop-1-ene-1,3-diamine;hydroiodide (CID 173353144) is prop-1-ene-1,3-diamine;hydroiodide.
What is the SMILES notation for prop-1-ene-1,3-diamine;hydroiodide?
The canonical SMILES for prop-1-ene-1,3-diamine;hydroiodide is I.NC=CCN.
What is the InChIKey of prop-1-ene-1,3-diamine;hydroiodide?
The InChIKey is SMNWYHUJPVSMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.HI/c4-2-1-3-5;/h1-2H,3-5H2;1H.
What are the key properties of prop-1-ene-1,3-diamine;hydroiodide?
prop-1-ene-1,3-diamine;hydroiodide has a molecular weight of 200.02 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1,3-diamine;hydroiodide is sourced from PubChem (CID 173353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).