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

C16H28N2S — CID 83042309

IUPACN-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCc2sccc2C1
InChIInChI=1S/C16H28N2S/c1-5-6-14(11-17-16(2,3)4)18-9-7-15-13(12-18)8-10-19-15/h8,10,14,17H,5-7,9,11-12H2,1-4H3
InChIKeyQMRUIQBBZWNRBS-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.66
Rot. Bonds5

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

N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine (PubChem CID 83042309) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
PubChem CID83042309
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCc2sccc2C1
InChIInChI=1S/C16H28N2S/c1-5-6-14(11-17-16(2,3)4)18-9-7-15-13(12-18)8-10-19-15/h8,10,14,17H,5-7,9,11-12H2,1-4H3
InChIKeyQMRUIQBBZWNRBS-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103225263
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
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)-N,3-dimethylbutan-1-amine
CID 62439639
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
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)-N-propan-2-ylbutan-1-amine
CID 62438747
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
5-[(2R)-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 74221516
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine (CID 83042309) is N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCc2sccc2C1.
What is the InChIKey of N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine?
The InChIKey is QMRUIQBBZWNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-6-14(11-17-16(2,3)4)18-9-7-15-13(12-18)8-10-19-15/h8,10,14,17H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine?
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine is sourced from PubChem (CID 83042309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).