3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine

C17H26N2S — CID 81143975

IUPAC3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C17H26N2S/c1-4-6-7-13(5-2)10-16(18-3)14-11-17-15(19-12-14)8-9-20-17/h8-9,11-13,16,18H,4-7,10H2,1-3H3
InChIKeyIFTSOGKZHJYOFF-UHFFFAOYSA-N
MW290.48 g/mol
LogP5.16
Rot. Bonds8

About 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine

3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine (PubChem CID 81143975) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine
PubChem CID81143975
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C17H26N2S/c1-4-6-7-13(5-2)10-16(18-3)14-11-17-15(19-12-14)8-9-20-17/h8-9,11-13,16,18H,4-7,10H2,1-3H3
InChIKeyIFTSOGKZHJYOFF-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501
N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144162
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514
3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
CID 81144218
(3-methyl-1-thieno[3,2-b]pyridin-6-ylpentyl)hydrazine
CID 105256494
2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine (CID 81143975) is 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine is CCCCC(CC)CC(NC)c1cnc2ccsc2c1.
What is the InChIKey of 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine?
The InChIKey is IFTSOGKZHJYOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-4-6-7-13(5-2)10-16(18-3)14-11-17-15(19-12-14)8-9-20-17/h8-9,11-13,16,18H,4-7,10H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine?
3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine is sourced from PubChem (CID 81143975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).