Chemical ID: 6725720

CCOc1ccccc1C[NH+]2CCC(CC2)[NH+]3CCCCC3
Chemical ID:
6725720
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
CCOc1ccccc1C[NH+]2CCC(CC2)[NH+]3CCCCC3
InChi [?]:
InChI=1/C19H30N2O/c1-2-22-19-9-5-4-8-17(19)16-20-14-10-18(11-15-20)21-12-6-3-7-13-21/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,2,20,7,6,19,21,8,5,13,15,18,22,12,16,10,9,14,4,11,17,3/E:(6,7)(10,11)(12,13)(14,15)/rA:22nCCOCCCCCCCN+CCCCCN+CCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32N2O+2
All Atoms:54
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-77.2552
Area:507.953
Solvation:-89.954
Coulombic:82.4087
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.47
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):2.72

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Descriptor Annotations

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