Chemical ID: 7108626

c1ccc2c(c1)cccc2CNC3CCCCCCC3
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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