3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide

C24H41N3O3Si — CID 87720951

IUPAC3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide
SMILESCC(C)(C)C1C(O[Si](C)(C)C(C)(C)C)c2cc(C(N)=NO)ccc2OC12CCNCC2
InChIInChI=1S/C24H41N3O3Si/c1-22(2,3)20-19(30-31(7,8)23(4,5)6)17-15-16(21(25)27-28)9-10-18(17)29-24(20)11-13-26-14-12-24/h9-10,15,19-20,26,28H,11-14H2,1-8H3,(H2,25,27)
InChIKeyMMOBYPWHQDRULZ-UHFFFAOYSA-N
MW447.70 g/mol
LogP5.02
Rot. Bonds3

About 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide

3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide (PubChem CID 87720951) has the molecular formula C24H41N3O3Si and a molecular weight of 447.70 g/mol. Its IUPAC name is 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide.

Molecular Properties

Compound Name3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide
PubChem CID87720951
Molecular FormulaC24H41N3O3Si
Molecular Weight447.70 g/mol
Exact Mass447.29
IUPAC Name3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide
SMILESCC(C)(C)C1C(O[Si](C)(C)C(C)(C)C)c2cc(C(N)=NO)ccc2OC12CCNCC2
InChIInChI=1S/C24H41N3O3Si/c1-22(2,3)20-19(30-31(7,8)23(4,5)6)17-15-16(21(25)27-28)9-10-18(17)29-24(20)11-13-26-14-12-24/h9-10,15,19-20,26,28H,11-14H2,1-8H3,(H2,25,27)
InChIKeyMMOBYPWHQDRULZ-UHFFFAOYSA-N
XLogP5.02
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide?
The IUPAC name of 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide (CID 87720951) is 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide.
What is the SMILES notation for 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide?
The canonical SMILES for 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide is CC(C)(C)C1C(O[Si](C)(C)C(C)(C)C)c2cc(C(N)=NO)ccc2OC12CCNCC2.
What is the InChIKey of 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide?
The InChIKey is MMOBYPWHQDRULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3Si/c1-22(2,3)20-19(30-31(7,8)23(4,5)6)17-15-16(21(25)27-28)9-10-18(17)29-24(20)11-13-26-14-12-24/h9-10,15,19-20,26,28H,11-14H2,1-8H3,(H2,25,27).
What are the key properties of 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide?
3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide has a molecular weight of 447.70 g/mol, XLogP of 5.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-N'-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidamide is sourced from PubChem (CID 87720951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).