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

C13H19NS — CID 65020002

IUPAC2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCc2cccs2)CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(6-5-12-2-1-7-15-12)9-10-3-4-11(13)8-10/h1-2,7,10-11H,3-6,8-9,14H2
InChIKeyQZYFDWHCPJGVDE-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.20
Rot. Bonds3

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

2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020002) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65020002
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCc2cccs2)CC2CCC1C2
InChIInChI=1S/C13H19NS/c14-13(6-5-12-2-1-7-15-12)9-10-3-4-11(13)8-10/h1-2,7,10-11H,3-6,8-9,14H2
InChIKeyQZYFDWHCPJGVDE-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-3-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020335
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63775207
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
CID 107089609
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
(2S)-2-(aminomethyl)bicyclo[2.2.1]heptan-2-amine;platinum(2+);dichloride
CID 11742035
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 65020002) is 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine is NC1(CCc2cccs2)CC2CCC1C2.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QZYFDWHCPJGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c14-13(6-5-12-2-1-7-15-12)9-10-3-4-11(13)8-10/h1-2,7,10-11H,3-6,8-9,14H2.
What are the key properties of 2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine?
2-(2-thiophen-2-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-2-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).