2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine

C14H20Br2N2O — CID 65319036

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCCC2CCCC21
InChIInChI=1S/C14H20Br2N2O/c15-10-7-13(19-14(10)16)12(8-17)18-6-2-4-9-3-1-5-11(9)18/h7,9,11-12H,1-6,8,17H2
InChIKeyODCBFPDWGWGZHV-UHFFFAOYSA-N
MW392.14 g/mol
LogP4.07
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine (PubChem CID 65319036) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine
PubChem CID65319036
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCCC2CCCC21
InChIInChI=1S/C14H20Br2N2O/c15-10-7-13(19-14(10)16)12(8-17)18-6-2-4-9-3-1-5-11(9)18/h7,9,11-12H,1-6,8,17H2
InChIKeyODCBFPDWGWGZHV-UHFFFAOYSA-N
XLogP4.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-bromophenyl)ethanamine
CID 65319165
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine
CID 106885610
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3,5-difluorophenyl)ethanamine
CID 106528687
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine
CID 102725743
2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62085064
2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 55032552
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62198718
2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63972477
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114843235

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine (CID 65319036) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine is NCC(c1cc(Br)c(Br)o1)N1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine?
The InChIKey is ODCBFPDWGWGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c15-10-7-13(19-14(10)16)12(8-17)18-6-2-4-9-3-1-5-11(9)18/h7,9,11-12H,1-6,8,17H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine has a molecular weight of 392.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine is sourced from PubChem (CID 65319036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).