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

C18H32N2S — CID 63495889

IUPAC2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCc2sccc2C1C
InChIInChI=1S/C18H32N2S/c1-5-10-19-13-18(6-2,7-3)14-20-11-8-17-16(15(20)4)9-12-21-17/h9,12,15,19H,5-8,10-11,13-14H2,1-4H3
InChIKeyYZIMXSYZYTVTHE-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.47
Rot. Bonds8

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

2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine (PubChem CID 63495889) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine
PubChem CID63495889
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCc2sccc2C1C
InChIInChI=1S/C18H32N2S/c1-5-10-19-13-18(6-2,7-3)14-20-11-8-17-16(15(20)4)9-12-21-17/h9,12,15,19H,5-8,10-11,13-14H2,1-4H3
InChIKeyYZIMXSYZYTVTHE-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine (CID 63495889) is 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine is CCCNCC(CC)(CC)CN1CCc2sccc2C1C.
What is the InChIKey of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine?
The InChIKey is YZIMXSYZYTVTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-10-19-13-18(6-2,7-3)14-20-11-8-17-16(15(20)4)9-12-21-17/h9,12,15,19H,5-8,10-11,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine?
2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 63495889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).