Chemical ID: 3873694

Cc1ccc2nc(c(n2c1)NC(C)(C)C)C(C)C
Chemical ID:
3873694
Name [?]:
8-isopropyl-4-methyl-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NC(C)(C)C)C(C)C
InChi [?]:
InChI=1/C15H23N3/c1-10(2)13-14(17-15(4,5)6)18-9-11(3)7-8-12(18)16-13/h7-10,17H,1-6H3
InChi Info:
AuxInfo=1/0/N:17,18,1,13,14,15,3,4,10,16,2,5,7,8,12,6,11,9/E:(1,2)(4,5,6)/rA:18nCCCCCNCCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s12;s12;s7;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.10827
Area:420.486
Solvation:-1.40388
Coulombic:-23.9628
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.363
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.36
LogP (Chemaxon):3.52

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