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Chemical ID: 3865186
Chemical ID:
3865186
Name [?]:
N-cyclopentyl-8-(4-dimethylaminophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
CN(C)c1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4
InChi [?]:
InChI=1/C20H24N4/c1-23(2)17-12-10-15(11-13-17)19-20(21-16-7-3-4-8-16)24-14-6-5-9-18(24)22-19/h5-6,9-14,16,21H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,22,23,15,14,21,24,16,6,8,5,9,13,7,20,4,17,10,11,19,18,2,12/E:(1,2)(3,4)(7,8)(10,11)(12,13)/rA:24nCNCCCCCCCCCNCCCCCNNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;d13;s14;d15;s12s16;s10d17;s11;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0385 |
Area: | 524.997 |
Solvation: | -2.0864 |
Coulombic: | -31.5242 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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