N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide

C18H29F3N2OSi — CID 11693263

IUPACN-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(OCCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H29F3N2OSi/c1-7-23(3)13-22-16-12-15(18(19,20)21)17(11-14(16)2)24-9-8-10-25(4,5)6/h11-13H,7-10H2,1-6H3/b22-13+
InChIKeySACHJKZWHBFWEL-LPYMAVHISA-N
MW374.52 g/mol
LogP5.73
Rot. Bonds8

About N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide

N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide (PubChem CID 11693263) has the molecular formula C18H29F3N2OSi and a molecular weight of 374.52 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
PubChem CID11693263
Molecular FormulaC18H29F3N2OSi
Molecular Weight374.52 g/mol
Exact Mass374.20
IUPAC NameN-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(OCCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H29F3N2OSi/c1-7-23(3)13-22-16-12-15(18(19,20)21)17(11-14(16)2)24-9-8-10-25(4,5)6/h11-13H,7-10H2,1-6H3/b22-13+
InChIKeySACHJKZWHBFWEL-LPYMAVHISA-N
XLogP5.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide (CID 11693263) is N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide is CCN(C)/C=N/c1cc(C(F)(F)F)c(OCCC[Si](C)(C)C)cc1C.
What is the InChIKey of N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide?
The InChIKey is SACHJKZWHBFWEL-LPYMAVHISA-N. The full InChI is InChI=1S/C18H29F3N2OSi/c1-7-23(3)13-22-16-12-15(18(19,20)21)17(11-14(16)2)24-9-8-10-25(4,5)6/h11-13H,7-10H2,1-6H3/b22-13+.
What are the key properties of N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide?
N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide has a molecular weight of 374.52 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide is sourced from PubChem (CID 11693263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).