1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine

C9H12N2S — CID 83828278

IUPAC1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine
SMILESCC(N)c1cncc2c1CSC2
InChIInChI=1S/C9H12N2S/c1-6(10)8-3-11-2-7-4-12-5-9(7)8/h2-3,6H,4-5,10H2,1H3
InChIKeyZVMVIHYQQVNJIV-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.85
Rot. Bonds1

About 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine

1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine (PubChem CID 83828278) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine
PubChem CID83828278
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine
SMILESCC(N)c1cncc2c1CSC2
InChIInChI=1S/C9H12N2S/c1-6(10)8-3-11-2-7-4-12-5-9(7)8/h2-3,6H,4-5,10H2,1H3
InChIKeyZVMVIHYQQVNJIV-UHFFFAOYSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine?
The IUPAC name of 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine (CID 83828278) is 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine.
What is the SMILES notation for 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine?
The canonical SMILES for 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine is CC(N)c1cncc2c1CSC2.
What is the InChIKey of 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine?
The InChIKey is ZVMVIHYQQVNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6(10)8-3-11-2-7-4-12-5-9(7)8/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine?
1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine has a molecular weight of 180.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine is sourced from PubChem (CID 83828278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).