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Chemical ID: 4296520
Chemical ID:
4296520
Name [?]:
N-butyl-5-(1-naphthyloxy)pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1cccc2c1cccc2
InChi [?]:
InChI=1/C19H27NO/c1-2-3-14-20-15-7-4-8-16-21-19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13,20H,2-4,7-8,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,20,19,7,9,14,21,15,18,13,4,6,10,16,17,12,5,11/rA:21nCCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;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: | 11.4831 |
Area: | 554.246 |
Solvation: | -2.37306 |
Coulombic: | -20.0416 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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