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Chemical ID: 4672373
Chemical ID:
4672373
Name [?]:
N,1-diethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILES [?]:
CCN1CCC(c2c1cccc2)N(C)CC
InChi [?]:
InChI=1/C14H22N2/c1-4-15(3)13-10-11-16(5-2)14-9-7-6-8-12(13)14/h6-9,13H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,1,14,15,2,11,10,12,9,5,4,7,6,8,13,3/rA:16cCCNCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;s6;s13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.37053 |
Area: | 396.1 |
Solvation: | -1.53198 |
Coulombic: | -12.6749 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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