2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine

C14H22N2S — CID 82751042

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCC2CCCCC21)c1cccs1
InChIInChI=1S/C14H22N2S/c15-12(14-6-3-9-17-14)10-16-8-7-11-4-1-2-5-13(11)16/h3,6,9,11-13H,1-2,4-5,7-8,10,15H2
InChIKeyYGEKNMYDLBEKSG-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.01
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 82751042) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine
PubChem CID82751042
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCC2CCCCC21)c1cccs1
InChIInChI=1S/C14H22N2S/c15-12(14-6-3-9-17-14)10-16-8-7-11-4-1-2-5-13(11)16/h3,6,9,11-13H,1-2,4-5,7-8,10,15H2
InChIKeyYGEKNMYDLBEKSG-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine with MolForge

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Related Compounds

2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 113279450
2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287874
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107522123
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine (CID 82751042) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine is NC(CN1CCC2CCCCC21)c1cccs1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is YGEKNMYDLBEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c15-12(14-6-3-9-17-14)10-16-8-7-11-4-1-2-5-13(11)16/h3,6,9,11-13H,1-2,4-5,7-8,10,15H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 82751042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).