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Chemical ID: 7108626
Chemical ID:
7108626
Name [?]:
N-(1-naphthylmethyl)cyclooctanamine
SMILES [?]:
c1ccc2c(c1)cccc2CNC3CCCCCCC3
InChi [?]:
InChI=1/C19H25N/c1-2-4-12-18(13-5-3-1)20-15-17-11-8-10-16-9-6-7-14-19(16)17/h6-11,14,18,20H,1-5,12-13,15H2
InChi Info:
AuxInfo=1/0/N:17,16,18,15,19,1,2,8,6,7,9,14,20,3,11,5,10,13,4,12/E:(2,3)(4,5)(12,13)/rA:20nCCCCCCCCCCCNCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s13s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3802 |
Area: | 464.542 |
Solvation: | -1.23335 |
Coulombic: | -12.824 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.77 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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