1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine

C14H21NS — CID 61077582

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CC2CCC1C2
InChIInChI=1S/C14H21NS/c15-13(9-14-2-1-5-16-14)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-13H,3-4,6-9,15H2
InChIKeyOULBSTFNGRJOER-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.44
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 61077582) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID61077582
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CC2CCC1C2
InChIInChI=1S/C14H21NS/c15-13(9-14-2-1-5-16-14)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-13H,3-4,6-9,15H2
InChIKeyOULBSTFNGRJOER-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.44
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)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine (CID 61077582) is 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine is NC(Cc1cccs1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is OULBSTFNGRJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c15-13(9-14-2-1-5-16-14)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-13H,3-4,6-9,15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.44, 4 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)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 61077582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).