N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide

C9H15N3S — CID 61361495

IUPACN-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
SMILESCC(C)/N=C(/Cc1ccsc1)NN
InChIInChI=1S/C9H15N3S/c1-7(2)11-9(12-10)5-8-3-4-13-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12)
InChIKeyMILRVXXIWMYODG-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.56
Rot. Bonds3

About N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide

N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide (PubChem CID 61361495) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
PubChem CID61361495
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
SMILESCC(C)/N=C(/Cc1ccsc1)NN
InChIInChI=1S/C9H15N3S/c1-7(2)11-9(12-10)5-8-3-4-13-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12)
InChIKeyMILRVXXIWMYODG-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 64872450
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
1-hydroxy-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 62482918
2-(2-thiophen-3-ylacetyl)pentanehydrazide
CID 141017390
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide?
The IUPAC name of N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide (CID 61361495) is N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide is CC(C)/N=C(/Cc1ccsc1)NN.
What is the InChIKey of N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide?
The InChIKey is MILRVXXIWMYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7(2)11-9(12-10)5-8-3-4-13-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide?
N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide has a molecular weight of 197.31 g/mol, XLogP of 1.56, 3 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-yl-2-thiophen-3-ylethanimidamide is sourced from PubChem (CID 61361495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).