371886
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3.732
4.5981
2.866
3.732
4.5981
2.866
5.4641
4.5981
4.5981
2.866
5.4641
6.3301
5.4641
7.1962
2
5.4641
6.3301
8.0622
2
5.4641
2.866
2
3.732
2
3.732
2.866
4.8101
5.2087
2.2554
2.654
5.8626
5.0656
3.9875
4.386
4.386
3.4766
3.0781
5.9316
6.7287
6.0747
5.6762
3.9875
5.6762
6.0747
1.3894
1.788
7.5947
6.7976
4.8535
5.252
2.62
2
7.7522
8.5991
8.3722
6.0201
6.8671
6.6401
6.0841
5.4641
4.8441
1.38
1.4631
4.269
1.4631
4.269
2.866
0.75
-0.75
-0.75
-0.25
1.25
1.25
-0.25
-1.75
2.25
2.25
-2.25
-0.75
-3.25
-0.25
2.75
2.75
-3.75
-0.75
3.75
3.75
-1.75
-2.25
-2.25
-3.25
-3.25
-3.75
0.6674
1.3577
1.3577
0.6674
0.2249
0.2249
-1.6423
-2.3326
2.8326
2.1423
2.8326
-1.225
-1.225
-2.3577
-1.6674
2.1423
2.1674
2.8577
2.8577
2.1674
0.2249
0.2249
-3.1423
-3.8326
3.75
4.37
-1.2869
-1.06
-0.2131
-4.2869
-4.06
-3.2131
3.75
4.37
3.75
3.75
-1.94
-1.94
-3.56
-3.56
-4.37
8
8
8
8
8
8
21
21
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23
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25
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26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
309
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
15
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F07B0000000000000000000000000000000000000000300000000000000000010000001C00000000000808C1100433C083000000A0002442640082000120020009880008648888202280999184200068800288C8071000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,1,3,3-tetrabutyl-2-phenyl-guanidine
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,1,3,3-tetrabutyl-2-phenylguanidine
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,1,3,3-tetrabutyl-2-phenylguanidine
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,1,3,3-tetrabutyl-2-phenyl-guanidine
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,1,3,3-tetrabutyl-2-phenyl-guanidine
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H41N3/c1-5-9-18-25(19-10-6-2)23(24-22-16-14-13-15-17-22)26(20-11-7-3)21-12-8-4/h13-17H,5-12,18-21H2,1-4H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FQOADOJVSACSAJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
6.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
359.330048
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H41N3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
359.59174
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCN(CCCC)C(=NC1=CC=CC=C1)N(CCCC)CCCC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCN(CCCC)C(=NC1=CC=CC=C1)N(CCCC)CCCC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
18.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
359.330048
26
0
0
0
0
0
0
0
1
1