About N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide
N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide (PubChem CID 56801746) has the molecular formula C11H24N4O
and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide.
Molecular Properties
| Compound Name | N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide |
| PubChem CID | 56801746 |
| Molecular Formula | C11H24N4O |
| Molecular Weight | 228.34 g/mol |
| Exact Mass | 228.20 |
| IUPAC Name | N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide |
| SMILES | CC(C)N(C)CC/N=C(\N)N1CCOCC1 |
| InChI | InChI=1S/C11H24N4O/c1-10(2)14(3)5-4-13-11(12)15-6-8-16-9-7-15/h10H,4-9H2,1-3H3,(H2,12,13) |
| InChIKey | SNHVLVRPGKSPKZ-UHFFFAOYSA-N |
| XLogP | -0.03 |
| TPSA | 54.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.34 |
| LogP ≤ 5 | -0.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide (CID 56801746) is N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide is CC(C)N(C)CC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
The InChIKey is SNHVLVRPGKSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2)14(3)5-4-13-11(12)15-6-8-16-9-7-15/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide?
N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 56801746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).