2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

C14H24N2S — CID 62124587

IUPAC2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCCC(C)C2C)s1
InChIInChI=1S/C14H24N2S/c1-10-5-4-8-16(12(10)3)13(9-15)14-7-6-11(2)17-14/h6-7,10,12-13H,4-5,8-9,15H2,1-3H3
InChIKeyDXQAIUXOULOOFZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 62124587) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID62124587
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCCC(C)C2C)s1
InChIInChI=1S/C14H24N2S/c1-10-5-4-8-16(12(10)3)13(9-15)14-7-6-11(2)17-14/h6-7,10,12-13H,4-5,8-9,15H2,1-3H3
InChIKeyDXQAIUXOULOOFZ-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (CID 62124587) is 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)N2CCCC(C)C2C)s1.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is DXQAIUXOULOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-5-4-8-16(12(10)3)13(9-15)14-7-6-11(2)17-14/h6-7,10,12-13H,4-5,8-9,15H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 62124587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).