1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine

C15H24N2OSi — CID 58826903

IUPAC1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine
SMILESCC(C)(C)[Si](C)(C)ON=C1CCc2cc(N)ccc21
InChIInChI=1S/C15H24N2OSi/c1-15(2,3)19(4,5)18-17-14-9-6-11-10-12(16)7-8-13(11)14/h7-8,10H,6,9,16H2,1-5H3
InChIKeyHIQQUAUJBOLQLQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP3.94
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine

1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine (PubChem CID 58826903) has the molecular formula C15H24N2OSi and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine
PubChem CID58826903
Molecular FormulaC15H24N2OSi
Molecular Weight276.46 g/mol
Exact Mass276.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine
SMILESCC(C)(C)[Si](C)(C)ON=C1CCc2cc(N)ccc21
InChIInChI=1S/C15H24N2OSi/c1-15(2,3)19(4,5)18-17-14-9-6-11-10-12(16)7-8-13(11)14/h7-8,10H,6,9,16H2,1-5H3
InChIKeyHIQQUAUJBOLQLQ-UHFFFAOYSA-N
XLogP3.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine (CID 58826903) is 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine is CC(C)(C)[Si](C)(C)ON=C1CCc2cc(N)ccc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine?
The InChIKey is HIQQUAUJBOLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OSi/c1-15(2,3)19(4,5)18-17-14-9-6-11-10-12(16)7-8-13(11)14/h7-8,10H,6,9,16H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine?
1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine has a molecular weight of 276.46 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-amine is sourced from PubChem (CID 58826903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).