2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide

C11H16N2O — CID 143733779

IUPAC2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C(C)C)ccc1O
InChIInChI=1S/C11H16N2O/c1-7(2)8-4-5-10(14)9(6-8)11(12)13-3/h4-7,14H,1-3H3,(H2,12,13)
InChIKeyWJOCKVIJJSITFR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds2

About 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide

2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide (PubChem CID 143733779) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide
PubChem CID143733779
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C(C)C)ccc1O
InChIInChI=1S/C11H16N2O/c1-7(2)8-4-5-10(14)9(6-8)11(12)13-3/h4-7,14H,1-3H3,(H2,12,13)
InChIKeyWJOCKVIJJSITFR-UHFFFAOYSA-N
XLogP1.85
TPSA58.61 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 ≤ 51.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide (CID 143733779) is 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide is C/N=C(\N)c1cc(C(C)C)ccc1O.
What is the InChIKey of 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide?
The InChIKey is WJOCKVIJJSITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)8-4-5-10(14)9(6-8)11(12)13-3/h4-7,14H,1-3H3,(H2,12,13).
What are the key properties of 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide?
2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-methyl-5-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 143733779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).