6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine

C15H20N2S — CID 58749683

IUPAC6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine
SMILESCC(C)(C)C1CCc2nc3sc(N)cc3cc2C1
InChIInChI=1S/C15H20N2S/c1-15(2,3)11-4-5-12-9(7-11)6-10-8-13(16)18-14(10)17-12/h6,8,11H,4-5,7,16H2,1-3H3
InChIKeyUPQVLKSRBKXURU-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.03
Rot. Bonds

About 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine

6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine (PubChem CID 58749683) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine
PubChem CID58749683
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine
SMILESCC(C)(C)C1CCc2nc3sc(N)cc3cc2C1
InChIInChI=1S/C15H20N2S/c1-15(2,3)11-4-5-12-9(7-11)6-10-8-13(16)18-14(10)17-12/h6,8,11H,4-5,7,16H2,1-3H3
InChIKeyUPQVLKSRBKXURU-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine (CID 58749683) is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine is CC(C)(C)C1CCc2nc3sc(N)cc3cc2C1.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine?
The InChIKey is UPQVLKSRBKXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)11-4-5-12-9(7-11)6-10-8-13(16)18-14(10)17-12/h6,8,11H,4-5,7,16H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine?
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-amine is sourced from PubChem (CID 58749683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).