N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide

C13H19N3O — CID 61360500

IUPACN-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide
SMILESCC(C)(C)/N=C(/NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H19N3O/c1-13(2,3)15-12(16-14)11-8-9-6-4-5-7-10(9)17-11/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKeyWEJCSKPGQHNJFB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds1

About N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide

N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide (PubChem CID 61360500) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide
PubChem CID61360500
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide
SMILESCC(C)(C)/N=C(/NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H19N3O/c1-13(2,3)15-12(16-14)11-8-9-6-4-5-7-10(9)17-11/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKeyWEJCSKPGQHNJFB-UHFFFAOYSA-N
XLogP1.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
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-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide (CID 61360500) is N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide is CC(C)(C)/N=C(/NN)C1Cc2ccccc2O1.
What is the InChIKey of N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide?
The InChIKey is WEJCSKPGQHNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)15-12(16-14)11-8-9-6-4-5-7-10(9)17-11/h4-7,11H,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide?
N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-2,3-dihydro-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 61360500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).