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Chemical ID: 5182323
Chemical ID:
5182323
Name [?]:
2-(1-naphthyl)-2-[2-(1-piperidyl)ethyl]pentanal
SMILES [?]:
CCCC(CCN1CCCCC1)(C=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C22H29NO/c1-2-13-22(18-24,14-17-23-15-6-3-7-16-23)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,2-3,6-7,13-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,23,22,9,11,17,24,18,21,16,3,5,8,12,6,13,19,20,15,4,7,14/E:(6,7)(15,16)/rA:24cCCCCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s4;d13;s4;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.935 |
Area: | 533.266 |
Solvation: | -2.39662 |
Coulombic: | -15.415 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.472 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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