About N-propyl-4-trimethylsilylbutan-1-amine
N-propyl-4-trimethylsilylbutan-1-amine (PubChem CID 642556) has the molecular formula C10H25NSi
and a molecular weight of 187.40 g/mol. Its IUPAC name is N-propyl-4-trimethylsilylbutan-1-amine.
Molecular Properties
| Compound Name | N-propyl-4-trimethylsilylbutan-1-amine |
| PubChem CID | 642556 |
| Molecular Formula | C10H25NSi |
| Molecular Weight | 187.40 g/mol |
| Exact Mass | 187.18 |
| IUPAC Name | N-propyl-4-trimethylsilylbutan-1-amine |
| SMILES | CCCNCCCC[Si](C)(C)C |
| InChI | InChI=1S/C10H25NSi/c1-5-8-11-9-6-7-10-12(2,3)4/h11H,5-10H2,1-4H3 |
| InChIKey | LYPGINIKODFCQT-UHFFFAOYSA-N |
| XLogP | 3.10 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 187.40 |
| LogP ≤ 5 | 3.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze N-propyl-4-trimethylsilylbutan-1-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-propyl-4-trimethylsilylbutan-1-amine?
The IUPAC name of N-propyl-4-trimethylsilylbutan-1-amine (CID 642556) is N-propyl-4-trimethylsilylbutan-1-amine.
What is the SMILES notation for N-propyl-4-trimethylsilylbutan-1-amine?
The canonical SMILES for N-propyl-4-trimethylsilylbutan-1-amine is CCCNCCCC[Si](C)(C)C.
What is the InChIKey of N-propyl-4-trimethylsilylbutan-1-amine?
The InChIKey is LYPGINIKODFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NSi/c1-5-8-11-9-6-7-10-12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of N-propyl-4-trimethylsilylbutan-1-amine?
N-propyl-4-trimethylsilylbutan-1-amine has a molecular weight of 187.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-trimethylsilylbutan-1-amine is sourced from PubChem (CID 642556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).