4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine

C16H28N2OS — CID 62555661

IUPAC4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCc2sccc2C1C
InChIInChI=1S/C16H28N2OS/c1-3-19-12-5-4-8-17-9-11-18-10-6-16-15(14(18)2)7-13-20-16/h7,13-14,17H,3-6,8-12H2,1-2H3
InChIKeyCDWCWOGQMJXFOG-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.07
Rot. Bonds9

About 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine (PubChem CID 62555661) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine
PubChem CID62555661
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCN1CCc2sccc2C1C
InChIInChI=1S/C16H28N2OS/c1-3-19-12-5-4-8-17-9-11-18-10-6-16-15(14(18)2)7-13-20-16/h7,13-14,17H,3-6,8-12H2,1-2H3
InChIKeyCDWCWOGQMJXFOG-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine (CID 62555661) is 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine is CCOCCCCNCCN1CCc2sccc2C1C.
What is the InChIKey of 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine?
The InChIKey is CDWCWOGQMJXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-19-12-5-4-8-17-9-11-18-10-6-16-15(14(18)2)7-13-20-16/h7,13-14,17H,3-6,8-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62555661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).