N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide

C14H24N2OSi — CID 91697332

IUPACN'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H24N2OSi/c1-11-8-7-9-12(10-11)13(15)16-17-18(5,6)14(2,3)4/h7-10H,1-6H3,(H2,15,16)
InChIKeyUXNPFRLBWWMHQD-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.64
Rot. Bonds3

About N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide

N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide (PubChem CID 91697332) has the molecular formula C14H24N2OSi and a molecular weight of 264.44 g/mol. Its IUPAC name is N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide
PubChem CID91697332
Molecular FormulaC14H24N2OSi
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H24N2OSi/c1-11-8-7-9-12(10-11)13(15)16-17-18(5,6)14(2,3)4/h7-10H,1-6H3,(H2,15,16)
InChIKeyUXNPFRLBWWMHQD-UHFFFAOYSA-N
XLogP3.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-3-methylbenzenecarboximidamide
CID 63181411
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
tert-butyl-dimethyl-[1-(3-methylphenyl)prop-1-enoxy]silane
CID 75217044
[[amino-(3-methylphenyl)methylidene]amino] 2,6-dimethoxybenzoate
CID 2961106
N'-trimethylsilyloxybenzenecarboximidamide
CID 71365359
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
CID 68830331
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
[[amino-(3-methylphenyl)methylidene]amino] 2-bromobenzoate
CID 2890192
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
CID 6043794
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582

Frequently Asked Questions

What is the IUPAC name of N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide?
The IUPAC name of N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide (CID 91697332) is N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide?
The InChIKey is UXNPFRLBWWMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OSi/c1-11-8-7-9-12(10-11)13(15)16-17-18(5,6)14(2,3)4/h7-10H,1-6H3,(H2,15,16).
What are the key properties of N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide?
N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide has a molecular weight of 264.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 91697332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).