About 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine (PubChem CID 63243077) has the molecular formula C15H30N2
and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine.
Molecular Properties
| Compound Name | 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine |
| PubChem CID | 63243077 |
| Molecular Formula | C15H30N2 |
| Molecular Weight | 238.42 g/mol |
| Exact Mass | 238.24 |
| IUPAC Name | 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine |
| SMILES | CC1CCC(CNCC2CCN(C)CC2)CC1 |
| InChI | InChI=1S/C15H30N2/c1-13-3-5-14(6-4-13)11-16-12-15-7-9-17(2)10-8-15/h13-16H,3-12H2,1-2H3 |
| InChIKey | XYHSFSJZUJQZPX-UHFFFAOYSA-N |
| XLogP | 2.74 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.42 |
| LogP ≤ 5 | 2.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine (CID 63243077) is 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine is CC1CCC(CNCC2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
The InChIKey is XYHSFSJZUJQZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-3-5-14(6-4-13)11-16-12-15-7-9-17(2)10-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine?
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 63243077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).