N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide

C11H19N3O — CID 61361309

IUPACN-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C(C)(C)C)NN)c(C)o1
InChIInChI=1S/C11H19N3O/c1-7-6-9(8(2)15-7)10(14-12)13-11(3,4)5/h6H,12H2,1-5H3,(H,13,14)
InChIKeyCTQMBVZPZARLIO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds1

About N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide

N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide (PubChem CID 61361309) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide
PubChem CID61361309
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C(C)(C)C)NN)c(C)o1
InChIInChI=1S/C11H19N3O/c1-7-6-9(8(2)15-7)10(14-12)13-11(3,4)5/h6H,12H2,1-5H3,(H,13,14)
InChIKeyCTQMBVZPZARLIO-UHFFFAOYSA-N
XLogP1.90
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
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-2,5-dimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide (CID 61361309) is N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide is Cc1cc(/C(=N/C(C)(C)C)NN)c(C)o1.
What is the InChIKey of N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide?
The InChIKey is CTQMBVZPZARLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-6-9(8(2)15-7)10(14-12)13-11(3,4)5/h6H,12H2,1-5H3,(H,13,14).
What are the key properties of N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide?
N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide has a molecular weight of 209.29 g/mol, XLogP of 1.90, 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-2,5-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 61361309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).