Chemical ID: 3861748

Cc1ccn2c(c1)nc(c2NC3CCCCC3)C(C)C
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

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Descriptor Annotations

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