N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

C24H33F3N2Si — CID 68586080

IUPACN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccc(C(F)(F)F)c(C[Si](C)(C)C)c2)cc1C
InChIInChI=1S/C24H33F3N2Si/c1-8-29(4)16-28-23-12-17(2)20(11-18(23)3)13-19-9-10-22(24(25,26)27)21(14-19)15-30(5,6)7/h9-12,14,16H,8,13,15H2,1-7H3/b28-16+
InChIKeyDTYLQWDVHTWTAA-LQKURTRISA-N
MW434.62 g/mol
LogP6.94
Rot. Bonds7

About N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68586080) has the molecular formula C24H33F3N2Si and a molecular weight of 434.62 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68586080
Molecular FormulaC24H33F3N2Si
Molecular Weight434.62 g/mol
Exact Mass434.24
IUPAC NameN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccc(C(F)(F)F)c(C[Si](C)(C)C)c2)cc1C
InChIInChI=1S/C24H33F3N2Si/c1-8-29(4)16-28-23-12-17(2)20(11-18(23)3)13-19-9-10-22(24(25,26)27)21(14-19)15-30(5,6)7/h9-12,14,16H,8,13,15H2,1-7H3/b28-16+
InChIKeyDTYLQWDVHTWTAA-LQKURTRISA-N
XLogP6.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 68586080) is N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2ccc(C(F)(F)F)c(C[Si](C)(C)C)c2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is DTYLQWDVHTWTAA-LQKURTRISA-N. The full InChI is InChI=1S/C24H33F3N2Si/c1-8-29(4)16-28-23-12-17(2)20(11-18(23)3)13-19-9-10-22(24(25,26)27)21(14-19)15-30(5,6)7/h9-12,14,16H,8,13,15H2,1-7H3/b28-16+.
What are the key properties of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 434.62 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).