N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide

C10H17N3OS — CID 81124589

IUPACN-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(/C(=N\C(C)(C)C)NN)c1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-9(13-11)8-5-7(14-4)6-15-8/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyNTNLBPALBRJVMA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.77
Rot. Bonds2

About N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide

N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide (PubChem CID 81124589) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide
PubChem CID81124589
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide
SMILESCOc1csc(/C(=N\C(C)(C)C)NN)c1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-9(13-11)8-5-7(14-4)6-15-8/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyNTNLBPALBRJVMA-UHFFFAOYSA-N
XLogP1.77
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-methoxythiophene-2-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide (CID 81124589) is N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide is COc1csc(/C(=N\C(C)(C)C)NN)c1.
What is the InChIKey of N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide?
The InChIKey is NTNLBPALBRJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,3)12-9(13-11)8-5-7(14-4)6-15-8/h5-6H,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide?
N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide has a molecular weight of 227.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-4-methoxythiophene-2-carboximidamide is sourced from PubChem (CID 81124589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).