N-amino-N'-propan-2-ylthiophene-3-carboximidamide

C8H13N3S — CID 61360680

IUPACN-amino-N'-propan-2-ylthiophene-3-carboximidamide
SMILESCC(C)/N=C(/NN)c1ccsc1
InChIInChI=1S/C8H13N3S/c1-6(2)10-8(11-9)7-3-4-12-5-7/h3-6H,9H2,1-2H3,(H,10,11)
InChIKeyVCLFBZXFJAFQBO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.37
Rot. Bonds2

About N-amino-N'-propan-2-ylthiophene-3-carboximidamide

N-amino-N'-propan-2-ylthiophene-3-carboximidamide (PubChem CID 61360680) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-amino-N'-propan-2-ylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-ylthiophene-3-carboximidamide
PubChem CID61360680
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-amino-N'-propan-2-ylthiophene-3-carboximidamide
SMILESCC(C)/N=C(/NN)c1ccsc1
InChIInChI=1S/C8H13N3S/c1-6(2)10-8(11-9)7-3-4-12-5-7/h3-6H,9H2,1-2H3,(H,10,11)
InChIKeyVCLFBZXFJAFQBO-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.37
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'-propan-2-ylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-ylthiophene-3-carboximidamide (CID 61360680) is N-amino-N'-propan-2-ylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-ylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-ylthiophene-3-carboximidamide is CC(C)/N=C(/NN)c1ccsc1.
What is the InChIKey of N-amino-N'-propan-2-ylthiophene-3-carboximidamide?
The InChIKey is VCLFBZXFJAFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(2)10-8(11-9)7-3-4-12-5-7/h3-6H,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-N'-propan-2-ylthiophene-3-carboximidamide?
N-amino-N'-propan-2-ylthiophene-3-carboximidamide has a molecular weight of 183.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-ylthiophene-3-carboximidamide is sourced from PubChem (CID 61360680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).