1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine

C15H20N2S — CID 166329424

IUPAC1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine
SMILESCC(C)C1(NCc2cnc3ccsc3c2)CCC1
InChIInChI=1S/C15H20N2S/c1-11(2)15(5-3-6-15)17-10-12-8-14-13(16-9-12)4-7-18-14/h4,7-9,11,17H,3,5-6,10H2,1-2H3
InChIKeyWZOJOEJGSDGICK-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.96
Rot. Bonds4

About 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine

1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine (PubChem CID 166329424) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine
PubChem CID166329424
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine
SMILESCC(C)C1(NCc2cnc3ccsc3c2)CCC1
InChIInChI=1S/C15H20N2S/c1-11(2)15(5-3-6-15)17-10-12-8-14-13(16-9-12)4-7-18-14/h4,7-9,11,17H,3,5-6,10H2,1-2H3
InChIKeyWZOJOEJGSDGICK-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine (CID 166329424) is 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine is CC(C)C1(NCc2cnc3ccsc3c2)CCC1.
What is the InChIKey of 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine?
The InChIKey is WZOJOEJGSDGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)15(5-3-6-15)17-10-12-8-14-13(16-9-12)4-7-18-14/h4,7-9,11,17H,3,5-6,10H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine?
1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 166329424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).