1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine

C15H24N2OS — CID 66391668

IUPAC1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
SMILESCCC(N)C(c1sccc1C)N1CC2CCC(C1)O2
InChIInChI=1S/C15H24N2OS/c1-3-13(16)14(15-10(2)6-7-19-15)17-8-11-4-5-12(9-17)18-11/h6-7,11-14H,3-5,8-9,16H2,1-2H3
InChIKeyZQFQAQCGRXNWKG-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine

1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine (PubChem CID 66391668) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
PubChem CID66391668
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
SMILESCCC(N)C(c1sccc1C)N1CC2CCC(C1)O2
InChIInChI=1S/C15H24N2OS/c1-3-13(16)14(15-10(2)6-7-19-15)17-8-11-4-5-12(9-17)18-11/h6-7,11-14H,3-5,8-9,16H2,1-2H3
InChIKeyZQFQAQCGRXNWKG-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine (CID 66391668) is 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine is CCC(N)C(c1sccc1C)N1CC2CCC(C1)O2.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The InChIKey is ZQFQAQCGRXNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-13(16)14(15-10(2)6-7-19-15)17-8-11-4-5-12(9-17)18-11/h6-7,11-14H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine is sourced from PubChem (CID 66391668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).