About CID 171360887
CID 171360887 (PubChem CID 171360887) has the molecular formula C6H12N2
and a molecular weight of 122.24 g/mol.
Molecular Properties
| Compound Name | CID 171360887 |
|---|
| PubChem CID | 171360887 |
|---|
| Molecular Formula | C6H12N2 |
|---|
| Molecular Weight | 122.24 g/mol |
|---|
| Exact Mass | 122.16 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [2H]C1([2H])C([2H])([2H])C([2H])([2H])[C@@]([2H])([NH])[C@]([2H])([NH])C1([2H])[2H] |
|---|
| InChI | InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1/i1D2,2D2,3D2,4D2,5D,6D |
|---|
| InChIKey | CWEAQFVAILAYBU-IQFLJQPFSA-N |
|---|
| XLogP | 0.86 |
|---|
| TPSA | 47.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.24 |
| LogP ≤ 5 | 0.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of CID 171360887?
The IUPAC name of CID 171360887 (CID 171360887) is not available.
What is the SMILES notation for CID 171360887?
The canonical SMILES for CID 171360887 is [2H]C1([2H])C([2H])([2H])C([2H])([2H])[C@@]([2H])([NH])[C@]([2H])([NH])C1([2H])[2H].
What is the InChIKey of CID 171360887?
The InChIKey is CWEAQFVAILAYBU-IQFLJQPFSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1/i1D2,2D2,3D2,4D2,5D,6D.
What are the key properties of CID 171360887?
CID 171360887 has a molecular weight of 122.24 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171360887 is sourced from PubChem (CID 171360887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).