About 4-iminocyclohex-5-ene-1,1,2-triamine
4-iminocyclohex-5-ene-1,1,2-triamine (PubChem CID 170279429) has the molecular formula C6H12N4
and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-iminocyclohex-5-ene-1,1,2-triamine.
Molecular Properties
| Compound Name | 4-iminocyclohex-5-ene-1,1,2-triamine |
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| PubChem CID | 170279429 |
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| Molecular Formula | C6H12N4 |
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| Molecular Weight | 140.19 g/mol |
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| Exact Mass | 140.11 |
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| IUPAC Name | 4-iminocyclohex-5-ene-1,1,2-triamine |
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| SMILES | [H]/N=C1\C=CC(N)(N)C(N)C1 |
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| InChI | InChI=1S/C6H12N4/c7-4-1-2-6(9,10)5(8)3-4/h1-2,5,7H,3,8-10H2/b7-4+ |
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| InChIKey | UGPWILKKIMONEP-QPJJXVBHSA-N |
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| XLogP | -1.09 |
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| TPSA | 101.91 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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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 |
|---|
| MW ≤ 500 | 140.19 |
| LogP ≤ 5 | -1.09 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-iminocyclohex-5-ene-1,1,2-triamine?
The IUPAC name of 4-iminocyclohex-5-ene-1,1,2-triamine (CID 170279429) is 4-iminocyclohex-5-ene-1,1,2-triamine.
What is the SMILES notation for 4-iminocyclohex-5-ene-1,1,2-triamine?
The canonical SMILES for 4-iminocyclohex-5-ene-1,1,2-triamine is [H]/N=C1\C=CC(N)(N)C(N)C1.
What is the InChIKey of 4-iminocyclohex-5-ene-1,1,2-triamine?
The InChIKey is UGPWILKKIMONEP-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N4/c7-4-1-2-6(9,10)5(8)3-4/h1-2,5,7H,3,8-10H2/b7-4+.
What are the key properties of 4-iminocyclohex-5-ene-1,1,2-triamine?
4-iminocyclohex-5-ene-1,1,2-triamine has a molecular weight of 140.19 g/mol, XLogP of -1.09, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocyclohex-5-ene-1,1,2-triamine is sourced from PubChem (CID 170279429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).