N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide

C16H28N2OSi — CID 175703258

IUPACN-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(/c1ccc(OCCC[Si](C)(C)C)cc1)N(C)CC
InChIInChI=1S/C16H28N2OSi/c1-6-18(2)16(17)14-8-10-15(11-9-14)19-12-7-13-20(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3/b17-16-
InChIKeyZOINJZPHILKYGC-MSUUIHNZSA-N
MW292.50 g/mol
LogP4.07
Rot. Bonds7

About N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide

N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide (PubChem CID 175703258) has the molecular formula C16H28N2OSi and a molecular weight of 292.50 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
PubChem CID175703258
Molecular FormulaC16H28N2OSi
Molecular Weight292.50 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(/c1ccc(OCCC[Si](C)(C)C)cc1)N(C)CC
InChIInChI=1S/C16H28N2OSi/c1-6-18(2)16(17)14-8-10-15(11-9-14)19-12-7-13-20(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3/b17-16-
InChIKeyZOINJZPHILKYGC-MSUUIHNZSA-N
XLogP4.07
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
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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Related Compounds

N'-(difluoromethyl)-N-methyl-N-propyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
CID 90421799
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
4-butoxybenzenecarboximidamide
CID 3015454
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
(4-propoxyphenyl) 4-(5-trimethylsilylpentoxy)benzoate
CID 14847881
4-octoxybenzenecarboximidamide
CID 3302492
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
N-(4-methoxyphenyl)-4-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide
CID 53431898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The IUPAC name of N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide (CID 175703258) is N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The canonical SMILES for N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide is [H]/N=C(/c1ccc(OCCC[Si](C)(C)C)cc1)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
The InChIKey is ZOINJZPHILKYGC-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H28N2OSi/c1-6-18(2)16(17)14-8-10-15(11-9-14)19-12-7-13-20(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3/b17-16-.
What are the key properties of N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide?
N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide has a molecular weight of 292.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide is sourced from PubChem (CID 175703258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).