3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
33 34 0 1 0 0 0 0 0999 V2000
0.4605 1.1748 -0.0181 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1448 0.4074 -1.2299 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1448 0.4450 1.2168 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7867 -0.7442 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 -0.0212 -1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3364 0.0176 1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0884 -0.8072 -1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -0.7625 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 -0.6574 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -0.6314 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3016 -0.9471 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 2.5263 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3281 1.0551 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3278 1.1193 2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3328 -1.7418 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5114 -0.6693 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9636 0.8661 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9636 0.9092 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -0.6038 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2424 -0.9451 -2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 -1.7401 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6290 -1.7059 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 -0.8667 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9573 0.2474 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 -1.4938 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0971 -1.4547 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9553 0.2867 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6173 -1.5227 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6172 -1.4956 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 0.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 3.0971 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1892 2.5476 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2546 3.0700 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 12 1 0 0 0 0
2 5 1 0 0 0 0
2 7 1 0 0 0 0
2 13 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 14 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
4 15 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 10 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
8,10-dimethyl-10-azabicyclo[4.3.1]decane
4.2 InChl
InChI=1S/C11H21N/c1-9-7-10-5-3-4-6-11(8-9)12(10)2/h9-11H,3-8H2,1-2H3
4.3 InChlKey
TVLOPCWFGYPSRH-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1CC2CCCCC(C1)N2C
4.5 lsomeric SMILES
-
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
7. 相关靶点
8. 相关疾病
