acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride

C166H260Br2ClFN14O13 — CID 157446512

IUPACacetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride
SMILESCC(=O)O.CC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.Cl.NC1C[C@H]2CCCC[C@@H](C1)C2.NO.Nc1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O/N=C1/C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C=C2CCCC[C@@H](C1)C2.O=C1CC2CCCC(C1)[NH+]2Cc1ccccc1.O=C1C[C@@H]2CCCC[C@@](Br)(C1)C2.O=C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.[Br-]
InChIInChI=1S/C24H35N3O2.C24H37N3.C19H33N.C18H30N2O.C18H29NO.C15H19NO.C10H15BrO.C10H19N.C10H16O.C10H14O.C6H4FNO2.C2H4O2.BrH.ClH.H3NO/c28-27(29)24-11-4-3-10-23(24)25-19-15-20-8-5-9-21(16-19)26(20)22-13-17-6-1-2-7-18(12-17)14-22;25-23-10-3-4-11-24(23)26-19-15-20-8-5-9-21(16-19)27(20)22-13-17-6-1-2-7-18(12-17)14-22;1-14-9-17-7-4-8-18(10-14)20(17)19-12-15-5-2-3-6-16(11-15)13-19;21-19-15-11-16-6-3-7-17(12-15)20(16)18-9-13-4-1-2-5-14(8-13)10-18;20-18-11-15-6-3-7-16(12-18)19(15)17-9-13-4-1-2-5-14(8-13)10-17;17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12;11-10-4-2-1-3-8(6-10)5-9(12)7-10;3*11-10-6-8-3-1-2-4-9(5-8)7-10;7-5-3-1-2-4-6(5)8(9)10;1-2(3)4;;;1-2/h3-4,10-11,17-22,25H,1-2,5-9,12-16H2;3-4,10-11,17-22,26H,1-2,5-9,12-16,25H2;14-19H,2-13H2,1H3;13-14,16-18,21H,1-12H2;13-17H,1-12H2;1-3,5-6,13-14H,4,7-11H2;8H,1-7H2;8-10H,1-7,11H2;8-9H,1-7H2;6,9H,1-5,7H2;1-4H;1H3,(H,3,4);2*1H;2H,1H2/b;;;19-15-;;;;;;;;;;;/t2*17-,18+,19?,20-,21+,22?;14?,15-,16+,17-,18+,19?;13-,14+,16-,17+,18?;13-,14+,15-,16+,17?;;8-,10-;8-,9+,10?;8-,9+;9-;;;;;/m...1..0..1...../s1
InChIKeyIPNLVBUSJOUYNS-KPQIMSQJSA-N
MW2874.25 g/mol
LogP34.62
Rot. Bonds13

About acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride

acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride (PubChem CID 157446512) has the molecular formula C166H260Br2ClFN14O13 and a molecular weight of 2874.25 g/mol. Its IUPAC name is acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride.

Molecular Properties

Compound Nameacetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride
PubChem CID157446512
Molecular FormulaC166H260Br2ClFN14O13
Molecular Weight2874.25 g/mol
Exact Mass2869.82
IUPAC Nameacetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride
SMILESCC(=O)O.CC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.Cl.NC1C[C@H]2CCCC[C@@H](C1)C2.NO.Nc1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O/N=C1/C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C=C2CCCC[C@@H](C1)C2.O=C1CC2CCCC(C1)[NH+]2Cc1ccccc1.O=C1C[C@@H]2CCCC[C@@](Br)(C1)C2.O=C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.[Br-]
InChIInChI=1S/C24H35N3O2.C24H37N3.C19H33N.C18H30N2O.C18H29NO.C15H19NO.C10H15BrO.C10H19N.C10H16O.C10H14O.C6H4FNO2.C2H4O2.BrH.ClH.H3NO/c28-27(29)24-11-4-3-10-23(24)25-19-15-20-8-5-9-21(16-19)26(20)22-13-17-6-1-2-7-18(12-17)14-22;25-23-10-3-4-11-24(23)26-19-15-20-8-5-9-21(16-19)27(20)22-13-17-6-1-2-7-18(12-17)14-22;1-14-9-17-7-4-8-18(10-14)20(17)19-12-15-5-2-3-6-16(11-15)13-19;21-19-15-11-16-6-3-7-17(12-15)20(16)18-9-13-4-1-2-5-14(8-13)10-18;20-18-11-15-6-3-7-16(12-18)19(15)17-9-13-4-1-2-5-14(8-13)10-17;17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12;11-10-4-2-1-3-8(6-10)5-9(12)7-10;3*11-10-6-8-3-1-2-4-9(5-8)7-10;7-5-3-1-2-4-6(5)8(9)10;1-2(3)4;;;1-2/h3-4,10-11,17-22,25H,1-2,5-9,12-16H2;3-4,10-11,17-22,26H,1-2,5-9,12-16,25H2;14-19H,2-13H2,1H3;13-14,16-18,21H,1-12H2;13-17H,1-12H2;1-3,5-6,13-14H,4,7-11H2;8H,1-7H2;8-10H,1-7,11H2;8-9H,1-7H2;6,9H,1-5,7H2;1-4H;1H3,(H,3,4);2*1H;2H,1H2/b;;;19-15-;;;;;;;;;;;/t2*17-,18+,19?,20-,21+,22?;14?,15-,16+,17-,18+,19?;13-,14+,16-,17+,18?;13-,14+,15-,16+,17?;;8-,10-;8-,9+,10?;8-,9+;9-;;;;;/m...1..0..1...../s1
InChIKeyIPNLVBUSJOUYNS-KPQIMSQJSA-N
XLogP34.62
TPSA384.51 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.25
LogP ≤ 534.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride?
The IUPAC name of acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride (CID 157446512) is acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride.
What is the SMILES notation for acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride?
The canonical SMILES for acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride is CC(=O)O.CC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.Cl.NC1C[C@H]2CCCC[C@@H](C1)C2.NO.Nc1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O/N=C1/C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C=C2CCCC[C@@H](C1)C2.O=C1CC2CCCC(C1)[NH+]2Cc1ccccc1.O=C1C[C@@H]2CCCC[C@@](Br)(C1)C2.O=C1C[C@H]2CCCC[C@@H](C1)C2.O=C1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2.[Br-].
What is the InChIKey of acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride?
The InChIKey is IPNLVBUSJOUYNS-KPQIMSQJSA-N. The full InChI is InChI=1S/C24H35N3O2.C24H37N3.C19H33N.C18H30N2O.C18H29NO.C15H19NO.C10H15BrO.C10H19N.C10H16O.C10H14O.C6H4FNO2.C2H4O2.BrH.ClH.H3NO/c28-27(29)24-11-4-3-10-23(24)25-19-15-20-8-5-9-21(16-19)26(20)22-13-17-6-1-2-7-18(12-17)14-22;25-23-10-3-4-11-24(23)26-19-15-20-8-5-9-21(16-19)27(20)22-13-17-6-1-2-7-18(12-17)14-22;1-14-9-17-7-4-8-18(10-14)20(17)19-12-15-5-2-3-6-16(11-15)13-19;21-19-15-11-16-6-3-7-17(12-15)20(16)18-9-13-4-1-2-5-14(8-13)10-18;20-18-11-15-6-3-7-16(12-18)19(15)17-9-13-4-1-2-5-14(8-13)10-17;17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12;11-10-4-2-1-3-8(6-10)5-9(12)7-10;3*11-10-6-8-3-1-2-4-9(5-8)7-10;7-5-3-1-2-4-6(5)8(9)10;1-2(3)4;;;1-2/h3-4,10-11,17-22,25H,1-2,5-9,12-16H2;3-4,10-11,17-22,26H,1-2,5-9,12-16,25H2;14-19H,2-13H2,1H3;13-14,16-18,21H,1-12H2;13-17H,1-12H2;1-3,5-6,13-14H,4,7-11H2;8H,1-7H2;8-10H,1-7,11H2;8-9H,1-7H2;6,9H,1-5,7H2;1-4H;1H3,(H,3,4);2*1H;2H,1H2/b;;;19-15-;;;;;;;;;;;/t2*17-,18+,19?,20-,21+,22?;14?,15-,16+,17-,18+,19?;13-,14+,16-,17+,18?;13-,14+,15-,16+,17?;;8-,10-;8-,9+,10?;8-,9+;9-;;;;;/m...1..0..1...../s1.
What are the key properties of acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride?
acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride has a molecular weight of 2874.25 g/mol, XLogP of 34.62, 13 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one;(1S,6R)-bicyclo[4.3.1]decan-8-amine;(1S,6R)-bicyclo[4.3.1]decan-8-one;(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-one;2-N-[(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzene-1,2-diamine;N-[(1S,5R)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-3-methyl-9-azabicyclo[3.3.1]nonane;(1R,5S)-9-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-N-(2-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine;(6R)-bicyclo[4.3.1]dec-1(9)-en-8-one;(1S,6S)-1-bromobicyclo[4.3.1]decan-8-one;1-fluoro-2-nitrobenzene;hydroxylamine;bromide;hydrochloride is sourced from PubChem (CID 157446512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).