Chemical ID: 4296639

CCCCNCCCCCCOc1cccc2c1cccc2
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

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Descriptor Annotations

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