2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine

C17H28N2O — CID 102725743

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C17H28N2O/c1-2-14-9-10-17(20-14)16(12-18)19-11-5-7-13-6-3-4-8-15(13)19/h9-10,13,15-16H,2-8,11-12,18H2,1H3/t13-,15-,16?/m1/s1
InChIKeyVAJTVFKACRQHBK-CWSLVUQWSA-N
MW276.42 g/mol
LogP3.50
Rot. Bonds4

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine (PubChem CID 102725743) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine
PubChem CID102725743
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCC[C@H]3CCCC[C@H]32)o1
InChIInChI=1S/C17H28N2O/c1-2-14-9-10-17(20-14)16(12-18)19-11-5-7-13-6-3-4-8-15(13)19/h9-10,13,15-16H,2-8,11-12,18H2,1H3/t13-,15-,16?/m1/s1
InChIKeyVAJTVFKACRQHBK-CWSLVUQWSA-N
XLogP3.50
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine (CID 102725743) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine is CCc1ccc(C(CN)N2CCC[C@H]3CCCC[C@H]32)o1.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is VAJTVFKACRQHBK-CWSLVUQWSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-14-9-10-17(20-14)16(12-18)19-11-5-7-13-6-3-4-8-15(13)19/h9-10,13,15-16H,2-8,11-12,18H2,1H3/t13-,15-,16?/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 102725743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).