N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide

C14H17N3S — CID 61362762

IUPACN-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide
SMILESNN/C(CCCc1cccs1)=N/c1ccccc1
InChIInChI=1S/C14H17N3S/c15-17-14(16-12-6-2-1-3-7-12)10-4-8-13-9-5-11-18-13/h1-3,5-7,9,11H,4,8,10,15H2,(H,16,17)
InChIKeyUDYNZCYBAIPPDT-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.26
Rot. Bonds5

About N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide

N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide (PubChem CID 61362762) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide
PubChem CID61362762
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide
SMILESNN/C(CCCc1cccs1)=N/c1ccccc1
InChIInChI=1S/C14H17N3S/c15-17-14(16-12-6-2-1-3-7-12)10-4-8-13-9-5-11-18-13/h1-3,5-7,9,11H,4,8,10,15H2,(H,16,17)
InChIKeyUDYNZCYBAIPPDT-UHFFFAOYSA-N
XLogP3.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.26
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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Related Compounds

N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
CID 61363103
3-amino-1-ethyl-2-phenyl-1-(thiophen-2-ylmethyl)guanidine
CID 116514467
5-thiophen-2-ylpentanehydrazide
CID 70194284
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
3-thiophen-2-ylpropan-1-ol
CID 13109866
6-thiophen-2-ylhexanamide
CID 137320292
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate
CID 88702151
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide?
The IUPAC name of N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide (CID 61362762) is N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide.
What is the SMILES notation for N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide?
The canonical SMILES for N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide is NN/C(CCCc1cccs1)=N/c1ccccc1.
What is the InChIKey of N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide?
The InChIKey is UDYNZCYBAIPPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-17-14(16-12-6-2-1-3-7-12)10-4-8-13-9-5-11-18-13/h1-3,5-7,9,11H,4,8,10,15H2,(H,16,17).
What are the key properties of N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide?
N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide has a molecular weight of 259.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide is sourced from PubChem (CID 61362762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).