About 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine
3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 134440963) has the molecular formula C15H30N2O
and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine.
Molecular Properties
| Compound Name | 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine |
| PubChem CID | 134440963 |
| Molecular Formula | C15H30N2O |
| Molecular Weight | 254.42 g/mol |
| Exact Mass | 254.24 |
| IUPAC Name | 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine |
| SMILES | COC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1 |
| InChI | InChI=1S/C15H30N2O/c1-11(2)16-8-13(9-16)10-17(12(3)4)14-6-15(7-14)18-5/h11-15H,6-10H2,1-5H3 |
| InChIKey | ZLFYBLONONLIQN-UHFFFAOYSA-N |
| XLogP | 2.21 |
| TPSA | 15.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.42 |
| LogP ≤ 5 | 2.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine (CID 134440963) is 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine is COC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZLFYBLONONLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)16-8-13(9-16)10-17(12(3)4)14-6-15(7-14)18-5/h11-15H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine?
3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 134440963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).