N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine

C25H36N2OSi — CID 90006087

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine
SMILESCC(C)c1cn(-c2ccccc2)c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C25H36N2OSi/c1-19(2)23-18-27(21-11-9-8-10-12-21)24-14-13-20(17-22(23)24)26-15-16-28-29(6,7)25(3,4)5/h8-14,17-19,26H,15-16H2,1-7H3
InChIKeyBPVRNIKXZGZNBD-UHFFFAOYSA-N
MW408.66 g/mol
LogP7.19
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine (PubChem CID 90006087) has the molecular formula C25H36N2OSi and a molecular weight of 408.66 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine
PubChem CID90006087
Molecular FormulaC25H36N2OSi
Molecular Weight408.66 g/mol
Exact Mass408.26
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine
SMILESCC(C)c1cn(-c2ccccc2)c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C25H36N2OSi/c1-19(2)23-18-27(21-11-9-8-10-12-21)24-14-13-20(17-22(23)24)26-15-16-28-29(6,7)25(3,4)5/h8-14,17-19,26H,15-16H2,1-7H3
InChIKeyBPVRNIKXZGZNBD-UHFFFAOYSA-N
XLogP7.19
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 57.19
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-phenyl-3-propan-2-ylindol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine (CID 90006087) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine is CC(C)c1cn(-c2ccccc2)c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine?
The InChIKey is BPVRNIKXZGZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2OSi/c1-19(2)23-18-27(21-11-9-8-10-12-21)24-14-13-20(17-22(23)24)26-15-16-28-29(6,7)25(3,4)5/h8-14,17-19,26H,15-16H2,1-7H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenyl-3-propan-2-ylindol-5-amine has a molecular weight of 408.66 g/mol, XLogP of 7.19, 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-phenyl-3-propan-2-ylindol-5-amine is sourced from PubChem (CID 90006087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).