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Chemical ID: 4296639
Chemical ID:
4296639
Name [?]:
N-butyl-6-(1-naphthyloxy)hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1cccc2c1cccc2
InChi [?]:
InChI=1/C20H29NO/c1-2-3-15-21-16-8-4-5-9-17-22-20-14-10-12-18-11-6-7-13-19(18)20/h6-7,10-14,21H,2-5,8-9,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,9,21,20,7,10,15,22,16,19,14,4,6,11,17,18,13,5,12/rA:22nCCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0915 |
Area: | 577.198 |
Solvation: | -2.3385 |
Coulombic: | -20.3995 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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