N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

C16H21N3S — CID 80629364

IUPACN-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCc3sccc3C2)c(C)c1
InChIInChI=1S/C16H21N3S/c1-3-17-9-13-8-12(2)16(18-10-13)19-6-4-15-14(11-19)5-7-20-15/h5,7-8,10,17H,3-4,6,9,11H2,1-2H3
InChIKeyLNTSUXVYBYFGNF-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.12
Rot. Bonds4

About N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80629364) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80629364
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCc3sccc3C2)c(C)c1
InChIInChI=1S/C16H21N3S/c1-3-17-9-13-8-12(2)16(18-10-13)19-6-4-15-14(11-19)5-7-20-15/h5,7-8,10,17H,3-4,6,9,11H2,1-2H3
InChIKeyLNTSUXVYBYFGNF-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80629364) is N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2CCc3sccc3C2)c(C)c1.
What is the InChIKey of N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is LNTSUXVYBYFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-17-9-13-8-12(2)16(18-10-13)19-6-4-15-14(11-19)5-7-20-15/h5,7-8,10,17H,3-4,6,9,11H2,1-2H3.
What are the key properties of N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80629364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).