Chemical ID: 6672582

c1ccc(c(c1)N)NCCCNc2ccccc2N
Chemical ID:
6672582
Name [?]:
N'-[3-(2-aminophenyl)aminopropyl]benzene-1,2-diamine
SMILES [?]:
c1ccc(c(c1)N)NCCCNc2ccccc2N
InChi [?]:
InChI=1/C15H20N4/c16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17/h1-4,6-9,18-19H,5,10-11,16-17H2
InChi Info:
AuxInfo=1/0/N:1,16,2,15,10,6,17,3,14,9,11,5,18,4,13,7,19,8,12/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCCCCCNNCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.85383
Area:486.248
Solvation:-2.30237
Coulombic:-57.9452
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.346
H-Bond Donors:6
H-Bond Acceptors:4
XLogP:1.43
LogP (Chemaxon):1.55

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