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Chemical ID: 3861748
Chemical ID:
3861748
Name [?]:
N-cyclohexyl-8-isopropyl-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC3CCCCC3)C(C)C
InChi [?]:
InChI=1/C17H25N3/c1-12(2)16-17(18-14-7-5-4-6-8-14)20-10-9-13(3)11-15(20)19-16/h9-12,14,18H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,15,14,16,13,17,3,4,7,18,2,12,6,9,10,11,8,5/E:(1,2)(5,6)(7,8)/rA:20nCCCCNCCNCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;s15;s12s16;s9;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3012 |
Area: | 467.657 |
Solvation: | -1.39024 |
Coulombic: | -24.6296 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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