N'-hydroxy-2-propan-2-ylbenzenecarboximidamide

C10H14N2O — CID 83386252

IUPACN'-hydroxy-2-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C10H14N2O/c1-7(2)8-5-3-4-6-9(8)10(11)12-13/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyFBSJESVIIFRLPX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.90
Rot. Bonds2

About N'-hydroxy-2-propan-2-ylbenzenecarboximidamide

N'-hydroxy-2-propan-2-ylbenzenecarboximidamide (PubChem CID 83386252) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-hydroxy-2-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-propan-2-ylbenzenecarboximidamide
PubChem CID83386252
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN'-hydroxy-2-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C10H14N2O/c1-7(2)8-5-3-4-6-9(8)10(11)12-13/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyFBSJESVIIFRLPX-UHFFFAOYSA-N
XLogP1.90
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.90
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': 'oxime_1', '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'-hydroxy-2-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-propan-2-ylbenzenecarboximidamide (CID 83386252) is N'-hydroxy-2-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-propan-2-ylbenzenecarboximidamide is CC(C)c1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-propan-2-ylbenzenecarboximidamide?
The InChIKey is FBSJESVIIFRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)8-5-3-4-6-9(8)10(11)12-13/h3-7,13H,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-propan-2-ylbenzenecarboximidamide?
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide has a molecular weight of 178.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 83386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).