N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide

C11H15N3O — CID 142910757

IUPACN'-amino-3-(2-methylpropanoyl)benzenecarboximidamide
SMILESCC(C)C(=O)c1cccc(/C(N)=N/N)c1
InChIInChI=1S/C11H15N3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12)14-13/h3-7H,13H2,1-2H3,(H2,12,14)
InChIKeyYIZZHEDTJJBAFO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.10
Rot. Bonds3

About N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide

N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide (PubChem CID 142910757) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-(2-methylpropanoyl)benzenecarboximidamide
PubChem CID142910757
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-amino-3-(2-methylpropanoyl)benzenecarboximidamide
SMILESCC(C)C(=O)c1cccc(/C(N)=N/N)c1
InChIInChI=1S/C11H15N3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12)14-13/h3-7H,13H2,1-2H3,(H2,12,14)
InChIKeyYIZZHEDTJJBAFO-UHFFFAOYSA-N
XLogP1.10
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide?
The IUPAC name of N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide (CID 142910757) is N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide.
What is the SMILES notation for N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide?
The canonical SMILES for N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide is CC(C)C(=O)c1cccc(/C(N)=N/N)c1.
What is the InChIKey of N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide?
The InChIKey is YIZZHEDTJJBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12)14-13/h3-7H,13H2,1-2H3,(H2,12,14).
What are the key properties of N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide?
N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide has a molecular weight of 205.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-(2-methylpropanoyl)benzenecarboximidamide is sourced from PubChem (CID 142910757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).