N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline

C18H29NOSi — CID 10542492

IUPACN-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline
SMILESC#Cc1ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NOSi/c1-10-15-11-13-16(14-12-15)19(17(2,3)4)20-21(8,9)18(5,6)7/h1,11-14H,2-9H3
InChIKeyVXFXLWBGTNXRGH-UHFFFAOYSA-N
MW303.52 g/mol
LogP5.21
Rot. Bonds3

About N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline

N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline (PubChem CID 10542492) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline.

Molecular Properties

Compound NameN-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline
PubChem CID10542492
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC NameN-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline
SMILESC#Cc1ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NOSi/c1-10-15-11-13-16(14-12-15)19(17(2,3)4)20-21(8,9)18(5,6)7/h1,11-14H,2-9H3
InChIKeyVXFXLWBGTNXRGH-UHFFFAOYSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 10787457
4-[(Z)-1,2-bis[4-[tert-butyl-[tert-butyl(dimethyl)silyl]oxyamino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 101204685
tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
CID 11447833
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
4-ethynyl-N,N-bis(prop-1-en-2-yl)aniline
CID 143230772
(4-ethynylphenoxy)-trimethylsilane
CID 139607872
4-ethynyl-N,N-bis(2-methoxyethyl)aniline
CID 102209421
3-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-isocyanoamino]phenyl]-2-N-(4-ethynylphenyl)pyrazine-2,3-dicarboxamide
CID 59799276
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
CID 59370991
2-[4-[[4-[(4-ethynylphenyl)diazenyl]phenyl]diazenyl]-N-methylanilino]ethyl 2,2-dimethylbutanoate
CID 58322524
1-ethynyl-4-(4-ethynylphenyl)benzene
CID 139087486

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline?
The IUPAC name of N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline (CID 10542492) is N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline.
What is the SMILES notation for N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline?
The canonical SMILES for N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline is C#Cc1ccc(N(O[Si](C)(C)C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline?
The InChIKey is VXFXLWBGTNXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-10-15-11-13-16(14-12-15)19(17(2,3)4)20-21(8,9)18(5,6)7/h1,11-14H,2-9H3.
What are the key properties of N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline?
N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline has a molecular weight of 303.52 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-ethynylaniline is sourced from PubChem (CID 10542492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).