Chemical ID: 4558533

c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NCC3
Chemical ID:
4558533
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NCC3
InChi [?]:
InChI=1/C16H20N2/c1-4-9-16(10-5-1)15-13(8-11-17-16)12-6-2-3-7-14(12)18-15/h2-3,6-7,17-18H,1,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:13,1,2,12,14,6,3,18,11,15,17,5,7,4,8,10,16,9/E:(4,5)(9,10)/rA:18nCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s10;s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.77819
Area:402.245
Solvation:-1.27793
Coulombic:-21.4698
Bond Count [?]
All:21
Single:17
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:240.343
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.04
LogP (Chemaxon):3.04

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Descriptor Annotations

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