N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide

C11H16N2O — CID 10313487

IUPACN'-(4-tert-butylphenyl)-N-hydroxymethanimidamide
SMILESCC(C)(C)c1ccc(/N=C/NO)cc1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-4-6-10(7-5-9)12-8-13-14/h4-8,14H,1-3H3,(H,12,13)
InChIKeyPDFBPLZTOXIMKS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.62
Rot. Bonds2

About N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide

N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide (PubChem CID 10313487) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-hydroxymethanimidamide
PubChem CID10313487
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-(4-tert-butylphenyl)-N-hydroxymethanimidamide
SMILESCC(C)(C)c1ccc(/N=C/NO)cc1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-4-6-10(7-5-9)12-8-13-14/h4-8,14H,1-3H3,(H,12,13)
InChIKeyPDFBPLZTOXIMKS-UHFFFAOYSA-N
XLogP2.62
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-(4-tert-butylphenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide (CID 10313487) is N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide is CC(C)(C)c1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide?
The InChIKey is PDFBPLZTOXIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)9-4-6-10(7-5-9)12-8-13-14/h4-8,14H,1-3H3,(H,12,13).
What are the key properties of N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide?
N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide has a molecular weight of 192.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 10313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).