Indole-5-carbonitrile, 3-(diethylaminomethyl)-
TL;DR: Indole-5-carbonitrile, 3-(diethylaminomethyl)- (CAS 101831-73-6) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylaminomethyl)-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-diethylaminomethyl indole, 3-(Diethylamino)methylindole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-(DIETHYLAMINOMETHYL)-, 3-(diethylaminomethyl)-1H-indole-5-carbonitrile, 3-[(diethylamino)methyl]-1h-indole-5-carbonitrile
Technical Specifications
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.14224 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.14224 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CCN(CC)CC1=CNC2=C1C=C(C=C2)C#N |
| InChIKey | JYMRXQIKDFQBFP-UHFFFAOYSA-N |
Chemical Property Profile of Indole-5-carbonitrile, 3-(diethylaminomethyl)-
Property Insights of Indole-5-carbonitrile, 3-(diethylaminomethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(diethylaminomethyl)-. With a topological polar surface area (TPSA) of 42.8 Ų, Indole-5-carbonitrile, 3-(diethylaminomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(diethylaminomethyl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Indole-5-carbonitrile, 3-(diethylaminomethyl)-?
The CAS number of Indole-5-carbonitrile, 3-(diethylaminomethyl)- is 101831-73-6.
What is the molecular formula of Indole-5-carbonitrile, 3-(diethylaminomethyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(diethylaminomethyl)- is C14H17N3.
What is the molecular weight of Indole-5-carbonitrile, 3-(diethylaminomethyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(diethylaminomethyl)- is 227.14224 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(diethylaminomethyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(diethylaminomethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-5-carbonitrile, 3-(diethylaminomethyl)-?
Yes, CoreyChem provides custom synthesis services for Indole-5-carbonitrile, 3-(diethylaminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.