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

C12H20N2S — CID 62439646

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCc2sccc2C1
InChIInChI=1S/C12H20N2S/c1-3-11(8-13-2)14-6-4-12-10(9-14)5-7-15-12/h5,7,11,13H,3-4,6,8-9H2,1-2H3
InChIKeyHIYSOAUIHSXPPT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.10
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine (PubChem CID 62439646) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
PubChem CID62439646
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCc2sccc2C1
InChIInChI=1S/C12H20N2S/c1-3-11(8-13-2)14-6-4-12-10(9-14)5-7-15-12/h5,7,11,13H,3-4,6,8-9H2,1-2H3
InChIKeyHIYSOAUIHSXPPT-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
CID 62439639
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
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103225263
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427583
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
CID 66269555
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine (CID 62439646) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine is CCC(CNC)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine?
The InChIKey is HIYSOAUIHSXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-11(8-13-2)14-6-4-12-10(9-14)5-7-15-12/h5,7,11,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 62439646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).