N-amino-4-methyl-N'-propylthiophene-3-carboximidamide

C9H15N3S — CID 79807840

IUPACN-amino-4-methyl-N'-propylthiophene-3-carboximidamide
SMILESCCC/N=C(\NN)c1cscc1C
InChIInChI=1S/C9H15N3S/c1-3-4-11-9(12-10)8-6-13-5-7(8)2/h5-6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyBBYKTQOJIFAHQV-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.68
Rot. Bonds3

About N-amino-4-methyl-N'-propylthiophene-3-carboximidamide

N-amino-4-methyl-N'-propylthiophene-3-carboximidamide (PubChem CID 79807840) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-amino-4-methyl-N'-propylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-4-methyl-N'-propylthiophene-3-carboximidamide
PubChem CID79807840
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-amino-4-methyl-N'-propylthiophene-3-carboximidamide
SMILESCCC/N=C(\NN)c1cscc1C
InChIInChI=1S/C9H15N3S/c1-3-4-11-9(12-10)8-6-13-5-7(8)2/h5-6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyBBYKTQOJIFAHQV-UHFFFAOYSA-N
XLogP1.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.68
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-4-methyl-N'-propylthiophene-3-carboximidamide?
The IUPAC name of N-amino-4-methyl-N'-propylthiophene-3-carboximidamide (CID 79807840) is N-amino-4-methyl-N'-propylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-4-methyl-N'-propylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-4-methyl-N'-propylthiophene-3-carboximidamide is CCC/N=C(\NN)c1cscc1C.
What is the InChIKey of N-amino-4-methyl-N'-propylthiophene-3-carboximidamide?
The InChIKey is BBYKTQOJIFAHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-4-11-9(12-10)8-6-13-5-7(8)2/h5-6H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-4-methyl-N'-propylthiophene-3-carboximidamide?
N-amino-4-methyl-N'-propylthiophene-3-carboximidamide has a molecular weight of 197.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-methyl-N'-propylthiophene-3-carboximidamide is sourced from PubChem (CID 79807840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).