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Chemical ID: 4675703
Chemical ID:
4675703
Name [?]:
1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILES [?]:
CCN1CCC(c2c1cccc2)N3CCCC3
InChi [?]:
InChI=1/C15H22N2/c1-2-16-12-9-15(17-10-5-6-11-17)13-7-3-4-8-14(13)16/h3-4,7-8,15H,2,5-6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,15,16,12,9,5,14,17,4,7,8,6,3,13/E:(5,6)(10,11)/rA:17cCCNCCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;s6;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.41185 |
Area: | 397.722 |
Solvation: | -1.5312 |
Coulombic: | -12.5576 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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