N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine

C18H25NS2 — CID 105012674

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cc2sccc2s1
InChIInChI=1S/C18H25NS2/c1-2-6-19-15(10-14-9-12-3-4-13(14)8-12)17-11-18-16(21-17)5-7-20-18/h5,7,11-15,19H,2-4,6,8-10H2,1H3
InChIKeyGSFKTYCKYIZUIF-UHFFFAOYSA-N
MW319.54 g/mol
LogP5.83
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine (PubChem CID 105012674) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
PubChem CID105012674
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cc2sccc2s1
InChIInChI=1S/C18H25NS2/c1-2-6-19-15(10-14-9-12-3-4-13(14)8-12)17-11-18-16(21-17)5-7-20-18/h5,7,11-15,19H,2-4,6,8-10H2,1H3
InChIKeyGSFKTYCKYIZUIF-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine with MolForge

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764234
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105012704
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105010796
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79991546
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3-chlorophenyl)ethyl]propan-1-amine
CID 105012937
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79562678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine (CID 105012674) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)c1cc2sccc2s1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
The InChIKey is GSFKTYCKYIZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS2/c1-2-6-19-15(10-14-9-12-3-4-13(14)8-12)17-11-18-16(21-17)5-7-20-18/h5,7,11-15,19H,2-4,6,8-10H2,1H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine has a molecular weight of 319.54 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine is sourced from PubChem (CID 105012674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).