Responsive image

Common name

9-methyl-9-azabicyclo[3.3.1]nonane

IUPAC name

9-methyl-9-azabicyclo[3.3.1]nonane

SMILES

N1(C2CCCC1CCC2)C

Common name

9-methyl-9-azabicyclo[3.3.1]nonane

IUPAC name

9-methyl-9-azabicyclo[3.3.1]nonane

SMILES

N1(C2CCCC1CCC2)C

INCHI

InChI=1S/C9H17N/c1-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3/t8-,9+

FORMULA

C9H17N

Responsive image

Common name

9-methyl-9-azabicyclo[3.3.1]nonane

IUPAC name

9-methyl-9-azabicyclo[3.3.1]nonane





Molecular weight

139.238

clogP

1.805

clogS

-1.332

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

2

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00748 Granisetron Responsive image Serotonin Antagonists; Antiemetics; Alimentary Tract and Metabolism; Serotonin (5Ht3) Antagonists; Antiemetics and Antinauseants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; For the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation).
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4i1r_ligand_2_0.mol2 4i1r 1 -5.96 C1CC[N@H+]([C@@H](C1)CC)C 9
3cyx_ligand_1_10.mol2 3cyx 0.956522 -6.89 C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 11
3ekq_ligand_1_10.mol2 3ekq 0.956522 -6.86 [N@@H+]1(CC[C@@H]2CCCC[C@@H]2C1)C 11
3el0_ligand_1_0.mol2 3el0 0.956522 -6.86 [C@@H]12[C@@H](CCCC1)CC[N@@H+](C2)C 11
4qgi_ligand_1_9.mol2 4qgi 0.956522 -6.86 [N@@H+]1(CC[C@@H]2CCCC[C@@H]2C1)C 11
2pyn_ligand_1_0.mol2 2pyn 0.956522 -6.85 C[N@H+]1CC[C@H]2[C@H](CCCC2)C1 11
3d1y_ligand_1_10.mol2 3d1y 0.956522 -6.85 C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 11
3ekx_ligand_1_0.mol2 3ekx 0.956522 -6.84 [C@@H]12[C@@H](CCCC1)CC[N@@H+](C2)C 11
1hxb_ligand_1_9.mol2 1hxb 0.956522 -6.82 C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 11
576 , 58