About 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 114421390) has the molecular formula C15H30N2O
and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine.
Molecular Properties
| Compound Name | 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine |
| PubChem CID | 114421390 |
| Molecular Formula | C15H30N2O |
| Molecular Weight | 254.42 g/mol |
| Exact Mass | 254.24 |
| IUPAC Name | 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine |
| SMILES | COCCN(CC1CC(C)CCN1)C(C)C1CC1 |
| InChI | InChI=1S/C15H30N2O/c1-12-6-7-16-15(10-12)11-17(8-9-18-3)13(2)14-4-5-14/h12-16H,4-11H2,1-3H3 |
| InChIKey | RSQZXAPSNQNPDG-UHFFFAOYSA-N |
| XLogP | 2.12 |
| TPSA | 24.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.42 |
| LogP ≤ 5 | 2.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine (CID 114421390) is 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine is COCCN(CC1CC(C)CCN1)C(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is RSQZXAPSNQNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-6-7-16-15(10-12)11-17(8-9-18-3)13(2)14-4-5-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine?
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114421390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).