Chemical ID: 5928873

Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3ccccn3
Chemical ID:
5928873
Name [?]:
5-methyl-8-(2-pyridyl)-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3ccccn3
InChi [?]:
InChI=1/C21H28N4/c1-15-10-9-13-25-18(15)23-17(16-11-7-8-12-22-16)19(25)24-21(5,6)14-20(2,3)4/h7-13,24H,14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,22,23,4,3,21,24,5,15,2,20,9,7,10,16,12,25,8,11,6/E:(2,3,4)(5,6)/rA:25nCCCCCNCNCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6337
Area:505.094
Solvation:-1.99367
Coulombic:-30.717
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.474
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.4
LogP (Chemaxon):4.96

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Descriptor Annotations

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