N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine

C19H32N2OSi — CID 90005837

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine
SMILESCCCn1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C19H32N2OSi/c1-7-12-21-13-10-16-15-17(8-9-18(16)21)20-11-14-22-23(5,6)19(2,3)4/h8-10,13,15,20H,7,11-12,14H2,1-6H3
InChIKeyGLSWGNDIMXDFKP-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.49
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine (PubChem CID 90005837) has the molecular formula C19H32N2OSi and a molecular weight of 332.56 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine
PubChem CID90005837
Molecular FormulaC19H32N2OSi
Molecular Weight332.56 g/mol
Exact Mass332.23
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine
SMILESCCCn1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C19H32N2OSi/c1-7-12-21-13-10-16-15-17(8-9-18(16)21)20-11-14-22-23(5,6)19(2,3)4/h8-10,13,15,20H,7,11-12,14H2,1-6H3
InChIKeyGLSWGNDIMXDFKP-UHFFFAOYSA-N
XLogP5.49
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine (CID 90005837) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine is CCCn1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine?
The InChIKey is GLSWGNDIMXDFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2OSi/c1-7-12-21-13-10-16-15-17(8-9-18(16)21)20-11-14-22-23(5,6)19(2,3)4/h8-10,13,15,20H,7,11-12,14H2,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine has a molecular weight of 332.56 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-propylindol-5-amine is sourced from PubChem (CID 90005837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).