N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide

C10H17N3S — CID 79807949

IUPACN-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1/C(=N/C(C)(C)C)NN
InChIInChI=1S/C10H17N3S/c1-7-5-14-6-8(7)9(13-11)12-10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyPJTCNBVCXZKVDK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.06
Rot. Bonds1

About N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide

N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide (PubChem CID 79807949) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide
PubChem CID79807949
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide
SMILESCc1cscc1/C(=N/C(C)(C)C)NN
InChIInChI=1S/C10H17N3S/c1-7-5-14-6-8(7)9(13-11)12-10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyPJTCNBVCXZKVDK-UHFFFAOYSA-N
XLogP2.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.06
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-4-methylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide (CID 79807949) is N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide is Cc1cscc1/C(=N/C(C)(C)C)NN.
What is the InChIKey of N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide?
The InChIKey is PJTCNBVCXZKVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-5-14-6-8(7)9(13-11)12-10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide?
N-amino-N'-tert-butyl-4-methylthiophene-3-carboximidamide has a molecular weight of 211.33 g/mol, XLogP of 2.06, 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-4-methylthiophene-3-carboximidamide is sourced from PubChem (CID 79807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).