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Chemical ID: 4683643
Chemical ID:
4683643
Name [?]:
N,N-dibenzylpent-4-en-1-amine
SMILES [?]:
C=CCCCN(Cc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C19H23N/c1-2-3-10-15-20(16-18-11-6-4-7-12-18)17-19-13-8-5-9-14-19/h2,4-9,11-14H,1,3,10,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,3,11,18,10,12,17,19,4,9,13,16,20,5,7,14,8,15,6/E:(4,5)(6,7,8,9)(11,12,13,14)(16,17)(18,19)/rA:20nCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0467 |
Area: | 506.788 |
Solvation: | -1.62297 |
Coulombic: | -10.7847 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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