2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

C16H23NS — CID 105012668

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1cc2c(s1)CCC2
InChIInChI=1S/C16H23NS/c17-14(8-13-7-10-4-5-11(13)6-10)16-9-12-2-1-3-15(12)18-16/h9-11,13-14H,1-8,17H2
InChIKeyUKOHZFQERIROSO-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (PubChem CID 105012668) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
PubChem CID105012668
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1cc2c(s1)CCC2
InChIInChI=1S/C16H23NS/c17-14(8-13-7-10-4-5-11(13)6-10)16-9-12-2-1-3-15(12)18-16/h9-11,13-14H,1-8,17H2
InChIKeyUKOHZFQERIROSO-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine with MolForge

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Related Compounds

2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 105003349
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 80535161
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431178
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (CID 105012668) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is NC(CC1CC2CCC1C2)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The InChIKey is UKOHZFQERIROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c17-14(8-13-7-10-4-5-11(13)6-10)16-9-12-2-1-3-15(12)18-16/h9-11,13-14H,1-8,17H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is sourced from PubChem (CID 105012668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).