2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine

C14H22N2S — CID 54980475

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(CN)N2CC3CCC2C3)c(C)s1
InChIInChI=1S/C14H22N2S/c1-9-5-13(10(2)17-9)14(7-15)16-8-11-3-4-12(16)6-11/h5,11-12,14H,3-4,6-8,15H2,1-2H3
InChIKeyGEENOMRZWQKHDF-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 54980475) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID54980475
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(CN)N2CC3CCC2C3)c(C)s1
InChIInChI=1S/C14H22N2S/c1-9-5-13(10(2)17-9)14(7-15)16-8-11-3-4-12(16)6-11/h5,11-12,14H,3-4,6-8,15H2,1-2H3
InChIKeyGEENOMRZWQKHDF-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine (CID 54980475) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(CN)N2CC3CCC2C3)c(C)s1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is GEENOMRZWQKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9-5-13(10(2)17-9)14(7-15)16-8-11-3-4-12(16)6-11/h5,11-12,14H,3-4,6-8,15H2,1-2H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 54980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).