2849670
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7
-1
5
39
29
85
3
1
8
-1
6
38
28
84
3
1
1
5
255
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7.1962
10.6603
3.732
13.2583
8.0622
12.3923
7.1962
12.3923
9.7942
9.7942
10.6603
10.6603
8.9282
11.5263
8.9282
11.5263
8.0622
13.2583
4.5981
3.732
14.1244
12.3923
2.866
14.1244
4.5981
12.3923
5.4641
13.2583
6.3301
14.1244
12.3923
2
2.866
5.4641
14.1244
6.3301
12.3923
13.2583
7.1962
9.5822
9.1836
10.8723
11.2708
10.0063
10.4048
10.4482
10.0497
8.7162
8.3176
11.7383
12.1369
9.1403
9.5388
8.5991
12.9292
3.2646
2.4675
11.7817
12.1803
14.3364
14.7349
3.9441
4.3426
14.6613
4.0611
11.8554
5.4641
14.7444
14.1244
13.5044
13.0123
12.3923
11.7723
1.69
1.4631
2.31
2.556
2.3291
3.176
14.6613
5.4641
11.8554
6.8671
13.7953
7.7331
-3.25
2.75
-8.25
8.25
-4.75
2.75
-5.25
3.75
-0.75
-1.75
-0.25
0.75
-2.25
1.25
-3.25
2.25
-3.75
7.25
-7.75
-9.25
8.75
8.75
-7.75
6.75
-6.75
6.75
-8.25
5.25
-6.75
9.75
9.75
-8.25
-9.75
-6.25
5.75
-7.75
5.75
4.25
-6.25
-0.1674
-0.8577
-0.8326
-0.1423
-2.3326
-1.6423
1.3326
0.6423
-1.6674
-2.3577
0.6674
1.3577
-3.8326
-3.1423
-5.06
2.44
-7.275
-7.275
8.8577
8.1674
8.1674
8.8577
-9.8326
-9.1423
7.06
-6.44
7.06
-8.87
9.75
10.37
9.75
9.75
10.37
9.75
-7.7131
-8.56
-8.7869
-9.2131
-10.06
-10.2869
5.44
-5.63
5.44
-8.06
3.94
-6.56
1
1
8
8
8
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8
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8
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8
8
8
8
7
8
18
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39
38
24
26
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27
35
34
37
36
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37
34
36
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
659
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
18
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371F07BB000000000000000000000000000000000000000306000000000000000014000001E00180000000C08C1980432C083620000A802357350009200002102001A88012864980820B2C09191842008609800C8C8071888808E08000000000000001000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
N,N'-bis[[4-(diethylamino)phenyl]methyleneamino]nonanediamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]nonanediamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]nonanediamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]nonanediamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
N,N'-bis[[4-(diethylamino)benzylidene]amino]azelaamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C31H46N6O2/c1-5-36(6-2)28-20-16-26(17-21-28)24-32-34-30(38)14-12-10-9-11-13-15-31(39)35-33-25-27-18-22-29(23-19-27)37(7-3)8-4/h16-25H,5-15H2,1-4H3,(H,34,38)(H,35,39)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
INOOUMASQUBKNR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
534.368225
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C31H46N6O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
534.73594
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CCCCCCCC(=O)NN=CC2=CC=C(C=C2)N(CC)CC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CCCCCCCC(=O)NN=CC2=CC=C(C=C2)N(CC)CC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
89.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
534.368225
39
0
0
0
2
0
2
0
1
3