About 10-methyl-N-(10-methylundecyl)undecan-1-amine
10-methyl-N-(10-methylundecyl)undecan-1-amine (PubChem CID 22625170) has the molecular formula C24H51N
and a molecular weight of 353.68 g/mol. Its IUPAC name is 10-methyl-N-(10-methylundecyl)undecan-1-amine.
Molecular Properties
| Compound Name | 10-methyl-N-(10-methylundecyl)undecan-1-amine |
| PubChem CID | 22625170 |
| Molecular Formula | C24H51N |
| Molecular Weight | 353.68 g/mol |
| Exact Mass | 353.40 |
| IUPAC Name | 10-methyl-N-(10-methylundecyl)undecan-1-amine |
| SMILES | CC(C)CCCCCCCCCNCCCCCCCCCC(C)C |
| InChI | InChI=1S/C24H51N/c1-23(2)19-15-11-7-5-9-13-17-21-25-22-18-14-10-6-8-12-16-20-24(3)4/h23-25H,5-22H2,1-4H3 |
| InChIKey | KWLXMHPDSIQHDF-UHFFFAOYSA-N |
| XLogP | 8.13 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 353.68 |
| LogP ≤ 5 | 8.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 10-methyl-N-(10-methylundecyl)undecan-1-amine?
The IUPAC name of 10-methyl-N-(10-methylundecyl)undecan-1-amine (CID 22625170) is 10-methyl-N-(10-methylundecyl)undecan-1-amine.
What is the SMILES notation for 10-methyl-N-(10-methylundecyl)undecan-1-amine?
The canonical SMILES for 10-methyl-N-(10-methylundecyl)undecan-1-amine is CC(C)CCCCCCCCCNCCCCCCCCCC(C)C.
What is the InChIKey of 10-methyl-N-(10-methylundecyl)undecan-1-amine?
The InChIKey is KWLXMHPDSIQHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-23(2)19-15-11-7-5-9-13-17-21-25-22-18-14-10-6-8-12-16-20-24(3)4/h23-25H,5-22H2,1-4H3.
What are the key properties of 10-methyl-N-(10-methylundecyl)undecan-1-amine?
10-methyl-N-(10-methylundecyl)undecan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.13, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(10-methylundecyl)undecan-1-amine is sourced from PubChem (CID 22625170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).