N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide

C18H30F2N2OSi — CID 90421799

IUPACN'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
SMILESCCCN(C)C(=NC(F)F)c1ccc(OCCC[Si](C)(C)C)cc1
InChIInChI=1S/C18H30F2N2OSi/c1-6-12-22(2)17(21-18(19)20)15-8-10-16(11-9-15)23-13-7-14-24(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeyFCAVOWPVYXOYIJ-UHFFFAOYSA-N
MW356.53 g/mol
LogP5.10
Rot. Bonds9

About N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide

N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide (PubChem CID 90421799) has the molecular formula C18H30F2N2OSi and a molecular weight of 356.53 g/mol. Its IUPAC name is N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
PubChem CID90421799
Molecular FormulaC18H30F2N2OSi
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC NameN'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
SMILESCCCN(C)C(=NC(F)F)c1ccc(OCCC[Si](C)(C)C)cc1
InChIInChI=1S/C18H30F2N2OSi/c1-6-12-22(2)17(21-18(19)20)15-8-10-16(11-9-15)23-13-7-14-24(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeyFCAVOWPVYXOYIJ-UHFFFAOYSA-N
XLogP5.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.10
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
CID 175703258
4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
(4-propoxyphenyl) 4-(5-trimethylsilylpentoxy)benzoate
CID 14847881
N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide
CID 134106682
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762
4-butoxy-N,N-dimethylbenzenecarbothioamide
CID 175413654
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286

Frequently Asked Questions

What is the IUPAC name of N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The IUPAC name of N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide (CID 90421799) is N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide.
What is the SMILES notation for N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The canonical SMILES for N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide is CCCN(C)C(=NC(F)F)c1ccc(OCCC[Si](C)(C)C)cc1.
What is the InChIKey of N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The InChIKey is FCAVOWPVYXOYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2OSi/c1-6-12-22(2)17(21-18(19)20)15-8-10-16(11-9-15)23-13-7-14-24(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3.
What are the key properties of N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide has a molecular weight of 356.53 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide is sourced from PubChem (CID 90421799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).