2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine

C13H19NS — CID 65020335

IUPAC2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCc2ccsc2)CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(5-3-10-4-6-15-9-10)8-11-1-2-12(13)7-11/h4,6,9,11-12H,1-3,5,7-8,14H2
InChIKeyCESXJAWEQMJCRR-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.20
Rot. Bonds3

About 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine

2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020335) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65020335
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCc2ccsc2)CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(5-3-10-4-6-15-9-10)8-11-1-2-12(13)7-11/h4,6,9,11-12H,1-3,5,7-8,14H2
InChIKeyCESXJAWEQMJCRR-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65392570
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728
2-(2,3-dihydro-1H-inden-5-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020057
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
3-(2-cyclopropylethyl)thiophene
CID 159324839
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 65020335) is 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine is NC1(CCc2ccsc2)CC2CCC1C2.
What is the InChIKey of 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CESXJAWEQMJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c14-13(5-3-10-4-6-15-9-10)8-11-1-2-12(13)7-11/h4,6,9,11-12H,1-3,5,7-8,14H2.
What are the key properties of 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine?
2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).