Chemical ID: 3873711

Cc1cccn2c1nc(c2NC3CCCCC3)C(C)C
Chemical ID:
3873711
Name [?]:
N-cyclohexyl-8-isopropyl-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cccn2c1nc(c2NC3CCCCC3)C(C)C
InChi [?]:
InChI=1/C17H25N3/c1-12(2)15-17(18-14-9-5-4-6-10-14)20-11-7-8-13(3)16(20)19-15/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,15,14,16,4,3,13,17,5,18,2,12,9,7,10,11,8,6/E:(1,2)(5,6)(9,10)/rA:20nCCCCCNCNCCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;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:10.3348
Area:467.876
Solvation:-1.36207
Coulombic:-24.8679
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:3.89
LogP (Chemaxon):4.27

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Descriptor Annotations

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