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Chemical ID: 4286221
Chemical ID:
4286221
Name [?]:
N,N-diethyl-6-(2-naphthyloxy)hexan-1-amine
SMILES [?]:
CCN(CC)CCCCCCOc1ccc2ccccc2c1
InChi [?]:
InChI=1/C20H29NO/c1-3-21(4-2)15-9-5-6-10-16-22-20-14-13-18-11-7-8-12-19(18)17-20/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,9,18,19,7,10,17,20,15,14,6,11,22,16,21,13,3,12/E:(1,2)(3,4)/rA:22nCCNCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6658 |
Area: | 565.114 |
Solvation: | -2.46206 |
Coulombic: | -15.597 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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