Chemical ID: 7108706

CCc1ccc(cc1)CNC2CCCCCCC2
Chemical ID:
7108706
Name [?]:
N-[(4-ethylphenyl)methyl]cyclooctanamine
SMILES [?]:
CCc1ccc(cc1)CNC2CCCCCCC2
InChi [?]:
InChI=1/C17H27N/c1-2-15-10-12-16(13-11-15)14-18-17-8-6-4-3-5-7-9-17/h10-13,17-18H,2-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,12,18,4,8,5,7,9,3,6,11,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)/rA:18nCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s11s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N
All Atoms:45
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.505
Area:460.766
Solvation:-1.01411
Coulombic:-12.2369
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.403
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.4
LogP (Chemaxon):4.81

Name Annotations

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Descriptor Annotations

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