N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline

C32H54N2O2Si2 — CID 170900396

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
SMILESC=C(c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1)c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C32H54N2O2Si2/c1-26(27-14-18-29(19-15-27)33(8)22-24-35-37(10,11)31(2,3)4)28-16-20-30(21-17-28)34(9)23-25-36-38(12,13)32(5,6)7/h14-21H,1,22-25H2,2-13H3
InChIKeyVNEOQMASPCOEGU-UHFFFAOYSA-N
MW554.97 g/mol
LogP8.66
Rot. Bonds12

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline (PubChem CID 170900396) has the molecular formula C32H54N2O2Si2 and a molecular weight of 554.97 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
PubChem CID170900396
Molecular FormulaC32H54N2O2Si2
Molecular Weight554.97 g/mol
Exact Mass554.37
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
SMILESC=C(c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1)c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C32H54N2O2Si2/c1-26(27-14-18-29(19-15-27)33(8)22-24-35-37(10,11)31(2,3)4)28-16-20-30(21-17-28)34(9)23-25-36-38(12,13)32(5,6)7/h14-21H,1,22-25H2,2-13H3
InChIKeyVNEOQMASPCOEGU-UHFFFAOYSA-N
XLogP8.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.97
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-borono-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]benzoic acid
CID 58420009
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
CID 176747637
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
CID 59370991
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 171455039
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile
CID 122154492
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal
CID 139740845
N-hydroxy-4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzamide
CID 162770755
N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine
CID 140798524
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl-methylamino]phenyl]thieno[3,2-b]thiophene-2-carbaldehyde
CID 176889309
(2E)-2-[3-[(E)-2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetonitrile
CID 166042857

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline (CID 170900396) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline is C=C(c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1)c1ccc(N(C)CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline?
The InChIKey is VNEOQMASPCOEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O2Si2/c1-26(27-14-18-29(19-15-27)33(8)22-24-35-37(10,11)31(2,3)4)28-16-20-30(21-17-28)34(9)23-25-36-38(12,13)32(5,6)7/h14-21H,1,22-25H2,2-13H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline has a molecular weight of 554.97 g/mol, XLogP of 8.66, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 170900396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).