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

C13H22N2S — CID 62264305

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CCc2sccc2C1
InChIInChI=1S/C13H22N2S/c1-3-13(2,9-14)10-15-6-4-12-11(8-15)5-7-16-12/h5,7H,3-4,6,8-10,14H2,1-2H3
InChIKeyGAGSZOQJYLYWDA-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.48
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine (PubChem CID 62264305) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
PubChem CID62264305
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CCc2sccc2C1
InChIInChI=1S/C13H22N2S/c1-3-13(2,9-14)10-15-6-4-12-11(8-15)5-7-16-12/h5,7H,3-4,6,8-10,14H2,1-2H3
InChIKeyGAGSZOQJYLYWDA-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 62263191
5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65005365
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butan-1-amine
CID 55056659
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,3-dimethylbutan-1-amine
CID 61353756
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile
CID 43093243
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine (CID 62264305) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine is CCC(C)(CN)CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is GAGSZOQJYLYWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-13(2,9-14)10-15-6-4-12-11(8-15)5-7-16-12/h5,7H,3-4,6,8-10,14H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.48, 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-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 62264305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).