About (Z)-but-2-ene-1,4-diamine
(Z)-but-2-ene-1,4-diamine (PubChem CID 6284479) has the molecular formula C4H10N2
and a molecular weight of 86.14 g/mol. Its IUPAC name is (Z)-but-2-ene-1,4-diamine.
Molecular Properties
| Compound Name | (Z)-but-2-ene-1,4-diamine |
|---|
| PubChem CID | 6284479 |
|---|
| Molecular Formula | C4H10N2 |
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| Molecular Weight | 86.14 g/mol |
|---|
| Exact Mass | 86.08 |
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| IUPAC Name | (Z)-but-2-ene-1,4-diamine |
|---|
| SMILES | NC/C=C\CN |
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| InChI | InChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1- |
|---|
| InChIKey | FPYGTMVTDDBHRP-UPHRSURJSA-N |
|---|
| XLogP | -0.54 |
|---|
| TPSA | 52.04 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 | 86.14 |
| LogP ≤ 5 | -0.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-but-2-ene-1,4-diamine?
The IUPAC name of (Z)-but-2-ene-1,4-diamine (CID 6284479) is (Z)-but-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-but-2-ene-1,4-diamine?
The canonical SMILES for (Z)-but-2-ene-1,4-diamine is NC/C=C\CN.
What is the InChIKey of (Z)-but-2-ene-1,4-diamine?
The InChIKey is FPYGTMVTDDBHRP-UPHRSURJSA-N. The full InChI is InChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1-.
What are the key properties of (Z)-but-2-ene-1,4-diamine?
(Z)-but-2-ene-1,4-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene-1,4-diamine is sourced from PubChem (CID 6284479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).