3-(2,5-dimethylthiophen-3-yl)propan-1-amine

C9H15NS — CID 55266682

IUPAC3-(2,5-dimethylthiophen-3-yl)propan-1-amine
SMILESCc1cc(CCCN)c(C)s1
InChIInChI=1S/C9H15NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6H,3-5,10H2,1-2H3
InChIKeyOLUAKLCADQFCLU-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.26
Rot. Bonds3

About 3-(2,5-dimethylthiophen-3-yl)propan-1-amine

3-(2,5-dimethylthiophen-3-yl)propan-1-amine (PubChem CID 55266682) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-(2,5-dimethylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylthiophen-3-yl)propan-1-amine
PubChem CID55266682
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-(2,5-dimethylthiophen-3-yl)propan-1-amine
SMILESCc1cc(CCCN)c(C)s1
InChIInChI=1S/C9H15NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6H,3-5,10H2,1-2H3
InChIKeyOLUAKLCADQFCLU-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Phenylthiophen-2-yl)methanamine
CID 11993875
(1-(Thiophen-2-yl)cyclopentyl)methanamine
CID 16495144
3-(Thiophen-2-yl)propan-1-amine
CID 40835
8-[5-(4-Aminobutyl)thiophen-2-yl]octan-1-amine
CID 10469005
(3-Methylthiophen-2-yl)methanamine
CID 2798756
(4-Methylthiophen-2-yl)methanamine
CID 2795528
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
2-(5-Methyl-2-thienyl)ethanamine
CID 14788189
4H,5H,6H-cyclopenta[b]thiophen-2-ylmethanamine
CID 24688589
8-[5-(4-Aminobutyl)-3-ethylthiophen-2-yl]octan-1-amine
CID 16125736
8-[5-(4-Aminobutyl)-4-methylthiophen-2-yl]octan-1-amine
CID 16125857
8-[5-(4-Aminobutyl)-3-methylthiophen-2-yl]octan-1-amine
CID 16125858

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylthiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethylthiophen-3-yl)propan-1-amine (CID 55266682) is 3-(2,5-dimethylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethylthiophen-3-yl)propan-1-amine is Cc1cc(CCCN)c(C)s1.
What is the InChIKey of 3-(2,5-dimethylthiophen-3-yl)propan-1-amine?
The InChIKey is OLUAKLCADQFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6H,3-5,10H2,1-2H3.
What are the key properties of 3-(2,5-dimethylthiophen-3-yl)propan-1-amine?
3-(2,5-dimethylthiophen-3-yl)propan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 55266682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).