[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C13H19NOS — CID 65392610

IUPAC[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(CCc2cccs2)CC2CCC1O2
InChIInChI=1S/C13H19NOS/c14-9-13(6-5-11-2-1-7-16-11)8-10-3-4-12(13)15-10/h1-2,7,10,12H,3-6,8-9,14H2
InChIKeyQAYFFFNOTUYRJA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.58
Rot. Bonds4

About [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65392610) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65392610
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(CCc2cccs2)CC2CCC1O2
InChIInChI=1S/C13H19NOS/c14-9-13(6-5-11-2-1-7-16-11)8-10-3-4-12(13)15-10/h1-2,7,10,12H,3-6,8-9,14H2
InChIKeyQAYFFFNOTUYRJA-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65392610) is [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1(CCc2cccs2)CC2CCC1O2.
What is the InChIKey of [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is QAYFFFNOTUYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-9-13(6-5-11-2-1-7-16-11)8-10-3-4-12(13)15-10/h1-2,7,10,12H,3-6,8-9,14H2.
What are the key properties of [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-thiophen-2-ylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65392610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).