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Chemical ID: 5828685
Chemical ID:
5828685
Name [?]:
N-(1-naphthylmethyl)cyclohexanamine
SMILES [?]:
c1ccc2c(c1)cccc2CNC3CCCCC3
InChi [?]:
InChI=1/C17H21N/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h4-9,12,16,18H,1-3,10-11,13H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,2,8,6,7,9,14,18,3,11,5,10,13,4,12/E:(2,3)(10,11)/rA:18nCCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56993 |
Area: | 432.474 |
Solvation: | -1.24192 |
Coulombic: | -12.2346 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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