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

C13H22N2S — CID 62439639

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)N1CCc2sccc2C1
InChIInChI=1S/C13H22N2S/c1-10(2)12(8-14-3)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12,14H,4,6,8-9H2,1-3H3
InChIKeyDUCYBGKATSJGMI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.35
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 62439639) 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-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID62439639
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)N1CCc2sccc2C1
InChIInChI=1S/C13H22N2S/c1-10(2)12(8-14-3)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12,14H,4,6,8-9H2,1-3H3
InChIKeyDUCYBGKATSJGMI-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 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 ≤ 52.35
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-methylbutan-1-amine
CID 62439646
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
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930866
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide
CID 120703810
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine (CID 62439639) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine is CNCC(C(C)C)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is DUCYBGKATSJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)12(8-14-3)15-6-4-13-11(9-15)5-7-16-13/h5,7,10,12,14H,4,6,8-9H2,1-3H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.35, 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 62439639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).