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Chemical ID: 7350527
Chemical ID:
7350527
Name [?]:
3-(2,2-dimethyltetrahydropyran-4-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-heptan-1-amine
SMILES [?]:
CC(C)CCC(CCNCc1ccc(cc1)OC)C2CCOC(C2)(C)C
InChi [?]:
InChI=1/C23H39NO2/c1-18(2)6-9-20(21-13-15-26-23(3,4)16-21)12-14-24-17-19-7-10-22(25-5)11-8-19/h7-8,10-11,18,20-21,24H,6,9,12-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,25,26,18,4,12,16,5,13,15,7,20,8,21,24,10,2,11,6,19,14,23,9,17,22/E:(1,2)(3,4)(7,8)(10,11)/rA:26cCCCCCCCCNCCCCCCCOCCCCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s6;s19;s20;s21;s22;s19s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H39NO2 |
All Atoms: | 65 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.89 |
Area: | 635.603 |
Solvation: | -4.00009 |
Coulombic: | -26.682 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.561 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.31 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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