N-amino-N'-cycloheptylthiophene-3-carboximidamide

C12H19N3S — CID 61361953

IUPACN-amino-N'-cycloheptylthiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccsc1
InChIInChI=1S/C12H19N3S/c13-15-12(10-7-8-16-9-10)14-11-5-3-1-2-4-6-11/h7-9,11H,1-6,13H2,(H,14,15)
InChIKeyWUXPTNBFUPETDE-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.68
Rot. Bonds2

About N-amino-N'-cycloheptylthiophene-3-carboximidamide

N-amino-N'-cycloheptylthiophene-3-carboximidamide (PubChem CID 61361953) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-amino-N'-cycloheptylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptylthiophene-3-carboximidamide
PubChem CID61361953
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-amino-N'-cycloheptylthiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccsc1
InChIInChI=1S/C12H19N3S/c13-15-12(10-7-8-16-9-10)14-11-5-3-1-2-4-6-11/h7-9,11H,1-6,13H2,(H,14,15)
InChIKeyWUXPTNBFUPETDE-UHFFFAOYSA-N
XLogP2.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.68
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-N'-cycloheptylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptylthiophene-3-carboximidamide (CID 61361953) is N-amino-N'-cycloheptylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptylthiophene-3-carboximidamide is NN/C(=N\C1CCCCCC1)c1ccsc1.
What is the InChIKey of N-amino-N'-cycloheptylthiophene-3-carboximidamide?
The InChIKey is WUXPTNBFUPETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-15-12(10-7-8-16-9-10)14-11-5-3-1-2-4-6-11/h7-9,11H,1-6,13H2,(H,14,15).
What are the key properties of N-amino-N'-cycloheptylthiophene-3-carboximidamide?
N-amino-N'-cycloheptylthiophene-3-carboximidamide has a molecular weight of 237.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptylthiophene-3-carboximidamide is sourced from PubChem (CID 61361953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).