Chemical ID: 6662023

CCCCN(CCC#N)c1ccccc1
Chemical ID:
6662023
Name [?]:
3-(butyl-phenyl-amino)propanenitrile
SMILES [?]:
CCCCN(CCC#N)c1ccccc1
InChi [?]:
InChI=1/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,12,14,7,11,15,8,4,6,10,9,5/E:(5,6)(8,9)/rA:15cCCCCNCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;t8;s5;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.10256
Area:426.563
Solvation:-1.56153
Coulombic:-10.82
Bond Count [?]
All:15
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:202.296
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):3.58

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