About N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine (PubChem CID 103227787) has the molecular formula C11H23NO2
and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine.
Molecular Properties
| Compound Name | N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine |
| PubChem CID | 103227787 |
| Molecular Formula | C11H23NO2 |
| Molecular Weight | 201.31 g/mol |
| Exact Mass | 201.17 |
| IUPAC Name | N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine |
| SMILES | COCC(CNC1CC1)OCC(C)C |
| InChI | InChI=1S/C11H23NO2/c1-9(2)7-14-11(8-13-3)6-12-10-4-5-10/h9-12H,4-8H2,1-3H3 |
| InChIKey | GDUCNTJGOSXMKY-UHFFFAOYSA-N |
| XLogP | 1.43 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.31 |
| LogP ≤ 5 | 1.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine (CID 103227787) is N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine is COCC(CNC1CC1)OCC(C)C.
What is the InChIKey of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
The InChIKey is GDUCNTJGOSXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)7-14-11(8-13-3)6-12-10-4-5-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine?
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine is sourced from PubChem (CID 103227787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).