1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine

C13H19NS — CID 61363590

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(8-11-2-1-5-15-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12-13H,3-4,6-8,14H2
InChIKeyBHWWFBQTTBTJOO-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine

1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine (PubChem CID 61363590) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine
PubChem CID61363590
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(8-11-2-1-5-15-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12-13H,3-4,6-8,14H2
InChIKeyBHWWFBQTTBTJOO-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine (CID 61363590) is 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine is NC(Cc1cccs1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine?
The InChIKey is BHWWFBQTTBTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c14-13(8-11-2-1-5-15-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12-13H,3-4,6-8,14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine has a molecular weight of 221.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61363590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).