Chemical ID: 5241319

CC(C)N(CCn1cnc2c1ncnc2N)C(C)C
Chemical ID:
5241319
Name [?]:
9-(2-diisopropylaminoethyl)purin-6-amine
SMILES [?]:
CC(C)N(CCn1cnc2c1ncnc2N)C(C)C
InChi [?]:
InChI=1/C13H22N6/c1-9(2)19(10(3)4)6-5-18-8-17-11-12(14)15-7-16-13(11)18/h7-10H,5-6H2,1-4H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,6,5,13,8,2,17,10,15,11,16,14,12,9,7,4/E:(1,2,3,4)(9,10)/rA:19nCCCNCCNCNCCNCNCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s4;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H22N6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.4821
Area:452.697
Solvation:-1.83531
Coulombic:-45.0966
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.354
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.59
LogP (Chemaxon):1.5

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