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

C13H22N2O2S — CID 66269555

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CC(CN)N1CCc2sccc2C1)OC
InChIInChI=1S/C13H22N2O2S/c1-16-13(17-2)7-11(8-14)15-5-3-12-10(9-15)4-6-18-12/h4,6,11,13H,3,5,7-9,14H2,1-2H3
InChIKeyWVGFCYHFWAMIOT-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.44
Rot. Bonds6

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine (PubChem CID 66269555) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
PubChem CID66269555
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CC(CN)N1CCc2sccc2C1)OC
InChIInChI=1S/C13H22N2O2S/c1-16-13(17-2)7-11(8-14)15-5-3-12-10(9-15)4-6-18-12/h4,6,11,13H,3,5,7-9,14H2,1-2H3
InChIKeyWVGFCYHFWAMIOT-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66432722
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103225263
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4,4-dimethoxybutan-1-amine
CID 66270707
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
CID 62439646
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiolan-3-yl)ethanamine
CID 107132552
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 24693860
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine (CID 66269555) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine is COC(CC(CN)N1CCc2sccc2C1)OC.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine?
The InChIKey is WVGFCYHFWAMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-16-13(17-2)7-11(8-14)15-5-3-12-10(9-15)4-6-18-12/h4,6,11,13H,3,5,7-9,14H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine is sourced from PubChem (CID 66269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).