2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine

C10H15NS — CID 131204186

IUPAC2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine
SMILESCc1cc(C2CC(N)C2C)cs1
InChIInChI=1S/C10H15NS/c1-6-3-8(5-12-6)9-4-10(11)7(9)2/h3,5,7,9-10H,4,11H2,1-2H3
InChIKeyMKUJUBFZDCIWGB-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.51
Rot. Bonds1

About 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine

2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine (PubChem CID 131204186) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine
PubChem CID131204186
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine
SMILESCc1cc(C2CC(N)C2C)cs1
InChIInChI=1S/C10H15NS/c1-6-3-8(5-12-6)9-4-10(11)7(9)2/h3,5,7,9-10H,4,11H2,1-2H3
InChIKeyMKUJUBFZDCIWGB-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine?
The IUPAC name of 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine (CID 131204186) is 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine?
The canonical SMILES for 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine is Cc1cc(C2CC(N)C2C)cs1.
What is the InChIKey of 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine?
The InChIKey is MKUJUBFZDCIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-6-3-8(5-12-6)9-4-10(11)7(9)2/h3,5,7,9-10H,4,11H2,1-2H3.
What are the key properties of 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine?
2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 131204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).