(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine

C80H117F9I2N10O7 — CID 160916056

About (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine

(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine (PubChem CID 160916056) has the molecular formula C80H117F9I2N10O7 and a molecular weight of 1755.67 g/mol. Its IUPAC name is (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine.

Molecular Properties

• Compound Name: (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine
• PubChem CID: 160916056
• Molecular Formula: C80H117F9I2N10O7
• Molecular Weight: 1755.67 g/mol
• Exact Mass: 1754.71
• IUPAC Name: (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine
• SMILES: CN(C(=O)C(F)(F)F)C1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C.CN(C(=O)C(F)(F)F)C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.CNC1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C.II.NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F
• InChI: InChI=1S/C18H23F3N2O.C17H21F3N2O.C16H25F3N2O3.C15H22N2.C14H26N2O2.I2/c1-22(17(24)18(19,20)21)16-10-14-8-5-9-15(11-16)23(14)12-13-6-3-2-4-7-13;18-17(19,20)16(23)21-13-9-14-7-4-8-15(10-13)22(14)11-12-5-2-1-3-6-12;1-15(2,3)24-14(23)21-10-6-5-7-11(21)9-12(8-10)20(4)13(22)16(17,18)19;16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12;1-14(2,3)18-13(17)16-11-6-5-7-12(16)9-10(8-11)15-4;1-2/h2-4,6-7,14-16H,5,8-12H2,1H3;1-3,5-6,13-15H,4,7-11H2,(H,21,23);10-12H,5-9H2,1-4H3;1-3,5-6,13-15H,4,7-11,16H2;10-12,15H,5-9H2,1-4H3;/t14-,15+,16?;13?,14-,15+;10-,11+,12?;13?,14-,15+;10?,11-,12+
• InChIKey: SRKMELLLTNOUBZ-KYSIPDIZSA-N
• XLogP: 17.00
• TPSA: 176.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.67
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine?

The IUPAC name of (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine (CID 160916056) is (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine.

What is the SMILES notation for (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine?

The canonical SMILES for (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine is CN(C(=O)C(F)(F)F)C1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C.CN(C(=O)C(F)(F)F)C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.CNC1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C.II.NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1.O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F.

What is the InChIKey of (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine?

The InChIKey is SRKMELLLTNOUBZ-KYSIPDIZSA-N. The full InChI is InChI=1S/C18H23F3N2O.C17H21F3N2O.C16H25F3N2O3.C15H22N2.C14H26N2O2.I2/c1-22(17(24)18(19,20)21)16-10-14-8-5-9-15(11-16)23(14)12-13-6-3-2-4-7-13;18-17(19,20)16(23)21-13-9-14-7-4-8-15(10-13)22(14)11-12-5-2-1-3-6-12;1-15(2,3)24-14(23)21-10-6-5-7-11(21)9-12(8-10)20(4)13(22)16(17,18)19;16-13-9-14-7-4-8-15(10-13)17(14)11-12-5-2-1-3-6-12;1-14(2,3)18-13(17)16-11-6-5-7-12(16)9-10(8-11)15-4;1-2/h2-4,6-7,14-16H,5,8-12H2,1H3;1-3,5-6,13-15H,4,7-11H2,(H,21,23);10-12H,5-9H2,1-4H3;1-3,5-6,13-15H,4,7-11,16H2;10-12,15H,5-9H2,1-4H3;/t14-,15+,16?;13?,14-,15+;10-,11+,12?;13?,14-,15+;10?,11-,12+;.

What are the key properties of (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine?

(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine has a molecular weight of 1755.67 g/mol, XLogP of 17.00, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoroacetamide;N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2,2-trifluoro-N-methylacetamide;tert-butyl (1S,5R)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate;tert-butyl (1S,5R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate;molecular iodine is sourced from PubChem (CID 160916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).