N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide

C18H31N3OSi — CID 58214458

IUPACN'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C=N/OCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H31N3OSi/c1-8-21(4)14-19-18-12-15(2)17(11-16(18)3)13-20-22-9-10-23(5,6)7/h11-14H,8-10H2,1-7H3/b19-14+,20-13+
InChIKeyKFUXBCOQWHETBQ-SVRJJRGUSA-N
MW333.55 g/mol
LogP4.60
Rot. Bonds8

About N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214458) has the molecular formula C18H31N3OSi and a molecular weight of 333.55 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214458
Molecular FormulaC18H31N3OSi
Molecular Weight333.55 g/mol
Exact Mass333.22
IUPAC NameN'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C=N/OCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H31N3OSi/c1-8-21(4)14-19-18-12-15(2)17(11-16(18)3)13-20-22-9-10-23(5,6)7/h11-14H,8-10H2,1-7H3/b19-14+,20-13+
InChIKeyKFUXBCOQWHETBQ-SVRJJRGUSA-N
XLogP4.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.60
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 58214458) is N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(/C=N/OCC[Si](C)(C)C)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is KFUXBCOQWHETBQ-SVRJJRGUSA-N. The full InChI is InChI=1S/C18H31N3OSi/c1-8-21(4)14-19-18-12-15(2)17(11-16(18)3)13-20-22-9-10-23(5,6)7/h11-14H,8-10H2,1-7H3/b19-14+,20-13+.
What are the key properties of N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 333.55 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[(E)-2-trimethylsilylethoxyiminomethyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).