N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide

C11H16IN3S — CID 79684408

IUPACN-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1csc(I)c1
InChIInChI=1S/C11H16IN3S/c12-10-6-8(7-16-10)11(15-13)14-9-4-2-1-3-5-9/h6-7,9H,1-5,13H2,(H,14,15)
InChIKeyAQGLLNBCEODIJJ-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.90
Rot. Bonds2

About N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide

N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide (PubChem CID 79684408) has the molecular formula C11H16IN3S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
PubChem CID79684408
Molecular FormulaC11H16IN3S
Molecular Weight349.24 g/mol
Exact Mass349.01
IUPAC NameN-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1csc(I)c1
InChIInChI=1S/C11H16IN3S/c12-10-6-8(7-16-10)11(15-13)14-9-4-2-1-3-5-9/h6-7,9H,1-5,13H2,(H,14,15)
InChIKeyAQGLLNBCEODIJJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.90
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': 'iodine', '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'-cyclohexyl-5-iodothiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide (CID 79684408) is N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide is NN/C(=N\C1CCCCC1)c1csc(I)c1.
What is the InChIKey of N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide?
The InChIKey is AQGLLNBCEODIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3S/c12-10-6-8(7-16-10)11(15-13)14-9-4-2-1-3-5-9/h6-7,9H,1-5,13H2,(H,14,15).
What are the key properties of N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide?
N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide has a molecular weight of 349.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide is sourced from PubChem (CID 79684408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).