2,2-dimethyl-N'-thiophen-3-ylpropanimidamide

C9H14N2S — CID 66353580

IUPAC2,2-dimethyl-N'-thiophen-3-ylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccsc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)8(10)11-7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyFSBBJLASUBXMNH-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.78
Rot. Bonds1

About 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide

2,2-dimethyl-N'-thiophen-3-ylpropanimidamide (PubChem CID 66353580) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-thiophen-3-ylpropanimidamide
PubChem CID66353580
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2,2-dimethyl-N'-thiophen-3-ylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccsc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)8(10)11-7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyFSBBJLASUBXMNH-UHFFFAOYSA-N
XLogP2.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide?
The IUPAC name of 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide (CID 66353580) is 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide is CC(C)(C)/C(N)=N/c1ccsc1.
What is the InChIKey of 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide?
The InChIKey is FSBBJLASUBXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2,3)8(10)11-7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11).
What are the key properties of 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide?
2,2-dimethyl-N'-thiophen-3-ylpropanimidamide has a molecular weight of 182.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-thiophen-3-ylpropanimidamide is sourced from PubChem (CID 66353580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).