Chemical ID: 6450009

CC(C)(C)NCCCCCOc1cccc2c1cccc2
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

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Descriptor Annotations

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