2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine

C24H27ClN4OSi — CID 140863556

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESCC(C)(C)[Si](OC(CN)c1cn2nc(Cl)ccc2n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27ClN4OSi/c1-24(2,3)31(18-10-6-4-7-11-18,19-12-8-5-9-13-19)30-21(16-26)20-17-29-23(27-20)15-14-22(25)28-29/h4-15,17,21H,16,26H2,1-3H3
InChIKeySBOLVKYIQLWTOQ-UHFFFAOYSA-N
MW451.05 g/mol
LogP3.96
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine

2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine (PubChem CID 140863556) has the molecular formula C24H27ClN4OSi and a molecular weight of 451.05 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine
PubChem CID140863556
Molecular FormulaC24H27ClN4OSi
Molecular Weight451.05 g/mol
Exact Mass450.16
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESCC(C)(C)[Si](OC(CN)c1cn2nc(Cl)ccc2n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27ClN4OSi/c1-24(2,3)31(18-10-6-4-7-11-18,19-12-8-5-9-13-19)30-21(16-26)20-17-29-23(27-20)15-14-22(25)28-29/h4-15,17,21H,16,26H2,1-3H3
InChIKeySBOLVKYIQLWTOQ-UHFFFAOYSA-N
XLogP3.96
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.05
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane
CID 164524948
[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane
CID 56985578
2-[tert-butyl(diphenyl)silyl]oxy-3-(3,6-dichloro-5-methylpyridazin-4-yl)propanoic acid
CID 175552818
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
CID 102212939
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818581
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140927189

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine (CID 140863556) is 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine is CC(C)(C)[Si](OC(CN)c1cn2nc(Cl)ccc2n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The InChIKey is SBOLVKYIQLWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4OSi/c1-24(2,3)31(18-10-6-4-7-11-18,19-12-8-5-9-13-19)30-21(16-26)20-17-29-23(27-20)15-14-22(25)28-29/h4-15,17,21H,16,26H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine?
2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine has a molecular weight of 451.05 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethanamine is sourced from PubChem (CID 140863556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).