2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine

C14H24N2S — CID 54976931

IUPAC2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1cc(C(CN)N2CCC(C)CC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-10-4-6-16(7-5-10)14(9-15)13-8-11(2)17-12(13)3/h8,10,14H,4-7,9,15H2,1-3H3
InChIKeyMGPJWXIOHAQVSG-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds3

About 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine

2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 54976931) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID54976931
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1cc(C(CN)N2CCC(C)CC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-10-4-6-16(7-5-10)14(9-15)13-8-11(2)17-12(13)3/h8,10,14H,4-7,9,15H2,1-3H3
InChIKeyMGPJWXIOHAQVSG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 54976931) is 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine is Cc1cc(C(CN)N2CCC(C)CC2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is MGPJWXIOHAQVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-4-6-16(7-5-10)14(9-15)13-8-11(2)17-12(13)3/h8,10,14H,4-7,9,15H2,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 54976931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).