(R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine

C51H59N5O3 — CID 157072187

About (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine

(R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine (PubChem CID 157072187) has the molecular formula C51H59N5O3 and a molecular weight of 790.07 g/mol. Its IUPAC name is (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine.

Molecular Properties

• Compound Name: (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine
• PubChem CID: 157072187
• Molecular Formula: C51H59N5O3
• Molecular Weight: 790.07 g/mol
• Exact Mass: 789.46
• IUPAC Name: (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine
• SMILES: C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.C=C[C@H]1CN2CCC1C[C@@H]2[C@H](O)c1ccnc2ccc(CO)cc12.C[C@@H](N)c1cccc2ccccc12
• InChI: InChI=1S/C20H24N2O2.C19H22N2O.C12H13N/c1-2-14-11-22-8-6-15(14)10-19(22)20(24)16-5-7-21-18-4-3-13(12-23)9-17(16)18;1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-5,7,9,14-15,19-20,23-24H,1,6,8,10-12H2;2-7,9,13-14,18-19,22H,1,8,10-12H2;2-9H,13H2,1H3/t14-,15?,19+,20+;13-,14?,18+,19-;9-/m001/s1
• InChIKey: ACODPXBJLVDPBR-AMHJBTLJSA-N
• XLogP: 8.68
• TPSA: 118.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.07
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine?

The IUPAC name of (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine (CID 157072187) is (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine.

What is the SMILES notation for (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine?

The canonical SMILES for (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine is C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.C=C[C@H]1CN2CCC1C[C@@H]2[C@H](O)c1ccnc2ccc(CO)cc12.C[C@@H](N)c1cccc2ccccc12.

What is the InChIKey of (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine?

The InChIKey is ACODPXBJLVDPBR-AMHJBTLJSA-N. The full InChI is InChI=1S/C20H24N2O2.C19H22N2O.C12H13N/c1-2-14-11-22-8-6-15(14)10-19(22)20(24)16-5-7-21-18-4-3-13(12-23)9-17(16)18;1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-5,7,9,14-15,19-20,23-24H,1,6,8,10-12H2;2-7,9,13-14,18-19,22H,1,8,10-12H2;2-9H,13H2,1H3/t14-,15?,19+,20+;13-,14?,18+,19-;9-/m001/s1.

What are the key properties of (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine?

(R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine has a molecular weight of 790.07 g/mol, XLogP of 8.68, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(hydroxymethyl)quinolin-4-yl]methanol;(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;(1R)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 157072187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).