N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide

C11H16N2O — CID 10198034

IUPACN'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide
SMILESCCC(C)c1ccc(/N=C/NO)cc1
InChIInChI=1S/C11H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13-14/h4-9,14H,3H2,1-2H3,(H,12,13)
InChIKeyAZLFXTDKWCBSKH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.84
Rot. Bonds4

About N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide

N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide (PubChem CID 10198034) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide
PubChem CID10198034
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide
SMILESCCC(C)c1ccc(/N=C/NO)cc1
InChIInChI=1S/C11H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13-14/h4-9,14H,3H2,1-2H3,(H,12,13)
InChIKeyAZLFXTDKWCBSKH-UHFFFAOYSA-N
XLogP2.84
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.84
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-butan-2-ylphenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide (CID 10198034) is N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide is CCC(C)c1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide?
The InChIKey is AZLFXTDKWCBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13-14/h4-9,14H,3H2,1-2H3,(H,12,13).
What are the key properties of N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide?
N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide has a molecular weight of 192.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butan-2-ylphenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 10198034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).