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

C22H30N2OSi — CID 90005737

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C22H30N2OSi/c1-22(2,3)26(4,5)25-16-14-23-19-11-12-21-18(17-19)13-15-24(21)20-9-7-6-8-10-20/h6-13,15,17,23H,14,16H2,1-5H3
InChIKeyUQZRMEYNFPTQSP-UHFFFAOYSA-N
MW366.58 g/mol
LogP6.06
Rot. Bonds6

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

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine (PubChem CID 90005737) has the molecular formula C22H30N2OSi and a molecular weight of 366.58 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine
PubChem CID90005737
Molecular FormulaC22H30N2OSi
Molecular Weight366.58 g/mol
Exact Mass366.21
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C22H30N2OSi/c1-22(2,3)26(4,5)25-16-14-23-19-11-12-21-18(17-19)13-15-24(21)20-9-7-6-8-10-20/h6-13,15,17,23H,14,16H2,1-5H3
InChIKeyUQZRMEYNFPTQSP-UHFFFAOYSA-N
XLogP6.06
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 56.06
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-phenylindol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine (CID 90005737) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine is CC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine?
The InChIKey is UQZRMEYNFPTQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OSi/c1-22(2,3)26(4,5)25-16-14-23-19-11-12-21-18(17-19)13-15-24(21)20-9-7-6-8-10-20/h6-13,15,17,23H,14,16H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-phenylindol-5-amine has a molecular weight of 366.58 g/mol, XLogP of 6.06, 6 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-phenylindol-5-amine is sourced from PubChem (CID 90005737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).