2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide

C11H18N2S — CID 63178001

IUPAC2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide
SMILESCc1ccc(C(C)/N=C(/N)C(C)C)s1
InChIInChI=1S/C11H18N2S/c1-7(2)11(12)13-9(4)10-6-5-8(3)14-10/h5-7,9H,1-4H3,(H2,12,13)
InChIKeyLYZBLPNKXWAYML-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide

2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide (PubChem CID 63178001) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide
PubChem CID63178001
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide
SMILESCc1ccc(C(C)/N=C(/N)C(C)C)s1
InChIInChI=1S/C11H18N2S/c1-7(2)11(12)13-9(4)10-6-5-8(3)14-10/h5-7,9H,1-4H3,(H2,12,13)
InChIKeyLYZBLPNKXWAYML-UHFFFAOYSA-N
XLogP3.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.13
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-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide (CID 63178001) is 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide is Cc1ccc(C(C)/N=C(/N)C(C)C)s1.
What is the InChIKey of 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide?
The InChIKey is LYZBLPNKXWAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)11(12)13-9(4)10-6-5-8(3)14-10/h5-7,9H,1-4H3,(H2,12,13).
What are the key properties of 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide?
2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide has a molecular weight of 210.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide is sourced from PubChem (CID 63178001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).