N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine

C20H36N2OSi — CID 134875724

IUPACN-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/CCCCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H36N2OSi/c1-20(2,3)24(6,7)23-19-15-13-18(14-16-19)12-10-8-9-11-17-21-22(4)5/h13-17H,8-12H2,1-7H3/b21-17+
InChIKeyKSMLJGCNUBUPBF-HEHNFIMWSA-N
MW348.61 g/mol
LogP5.72
Rot. Bonds9

About N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine

N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine (PubChem CID 134875724) has the molecular formula C20H36N2OSi and a molecular weight of 348.61 g/mol. Its IUPAC name is N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine
PubChem CID134875724
Molecular FormulaC20H36N2OSi
Molecular Weight348.61 g/mol
Exact Mass348.26
IUPAC NameN-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/CCCCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H36N2OSi/c1-20(2,3)24(6,7)23-19-15-13-18(14-16-19)12-10-8-9-11-17-21-22(4)5/h13-17H,8-12H2,1-7H3/b21-17+
InChIKeyKSMLJGCNUBUPBF-HEHNFIMWSA-N
XLogP5.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.61
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
tert-butyl 4-[7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(E)-(dimethylhydrazinylidene)methyl]heptyl]benzoate
CID 134923111
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propane-1-sulfonate
CID 86632451
tert-butyl-dimethyl-[4-(2-triethylsilyloxyethyl)phenoxy]silane
CID 100946322
9-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]nonan-1-ol
CID 67825501
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
CID 139657241
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
5-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]phenyl]pentanal
CID 139843596
tert-butyl-[4-(3-ethyl-3,7-dimethyloctyl)phenoxy]-dimethylsilane
CID 142715301

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine (CID 134875724) is N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine is CN(C)/N=C/CCCCCc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine?
The InChIKey is KSMLJGCNUBUPBF-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H36N2OSi/c1-20(2,3)24(6,7)23-19-15-13-18(14-16-19)12-10-8-9-11-17-21-22(4)5/h13-17H,8-12H2,1-7H3/b21-17+.
What are the key properties of N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine?
N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine has a molecular weight of 348.61 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hexylideneamino]-N-methylmethanamine is sourced from PubChem (CID 134875724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).