N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C21H38F2N2OSi2 — CID 141498795

IUPACN'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(OCCC([Si](C)(C)C)[Si](C)(C)C)cc1C
InChIInChI=1S/C21H38F2N2OSi2/c1-10-25(3)15-24-18-14-17(21(22)23)19(13-16(18)2)26-12-11-20(27(4,5)6)28(7,8)9/h13-15,20-21H,10-12H2,1-9H3/b24-15+
InChIKeyTVIPCMLQFMEREB-BUVRLJJBSA-N
MW428.72 g/mol
LogP6.90
Rot. Bonds10

About N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 141498795) has the molecular formula C21H38F2N2OSi2 and a molecular weight of 428.72 g/mol. Its IUPAC name is N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID141498795
Molecular FormulaC21H38F2N2OSi2
Molecular Weight428.72 g/mol
Exact Mass428.25
IUPAC NameN'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(OCCC([Si](C)(C)C)[Si](C)(C)C)cc1C
InChIInChI=1S/C21H38F2N2OSi2/c1-10-25(3)15-24-18-14-17(21(22)23)19(13-16(18)2)26-12-11-20(27(4,5)6)28(7,8)9/h13-15,20-21H,10-12H2,1-9H3/b24-15+
InChIKeyTVIPCMLQFMEREB-BUVRLJJBSA-N
XLogP6.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.72
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 69048408
N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide
CID 144725176
N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 129032590
N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 74931905
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68595820
N'-[2,5-dimethyl-4-[2-(3-methylbutylsulfanyl)pyrimidin-4-yl]oxyphenyl]-N-ethyl-N-methylmethanimidamide
CID 155095419
N'-[2,5-dimethyl-4-[4-(4-methylsulfanylphenyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68598189
N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 173109798
N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide
CID 25159030
N'-[4-[(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 58214472
N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
CID 67447570

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 141498795) is N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)F)c(OCCC([Si](C)(C)C)[Si](C)(C)C)cc1C.
What is the InChIKey of N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is TVIPCMLQFMEREB-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H38F2N2OSi2/c1-10-25(3)15-24-18-14-17(21(22)23)19(13-16(18)2)26-12-11-20(27(4,5)6)28(7,8)9/h13-15,20-21H,10-12H2,1-9H3/b24-15+.
What are the key properties of N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 428.72 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 141498795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).