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Chemical ID: 6450009
Chemical ID:
6450009
Name [?]:
5-(1-naphthyloxy)-N-tert-butyl-pentan-1-amine
SMILES [?]:
CC(C)(C)NCCCCCOc1cccc2c1cccc2
InChi [?]:
InChI=1/C19H27NO/c1-19(2,3)20-14-7-4-8-15-21-18-13-9-11-16-10-5-6-12-17(16)18/h5-6,9-13,20H,4,7-8,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,8,20,19,7,9,14,21,15,18,13,6,10,16,17,12,2,5,11/E:(1,2,3)/rA:21nCCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9801 |
Area: | 532.076 |
Solvation: | -2.32176 |
Coulombic: | -19.4721 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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