Chemical ID: 3865181

c1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4
Chemical ID:
3865181
Name [?]:
N-cyclopentyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
c1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4
InChi [?]:
InChI=1/C18H19N3/c1-2-8-14(9-3-1)17-18(19-15-10-4-5-11-15)21-13-7-6-12-16(21)20-17/h1-3,6-9,12-13,15,19H,4-5,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,12,11,3,5,18,21,13,10,4,17,14,7,8,16,15,9/E:(2,3)(4,5)(8,9)(10,11)/rA:21nCCCCCCCCNCCCCCNNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s8;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0173
Area:462.358
Solvation:-1.54161
Coulombic:-26.3251
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.364
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.34
LogP (Chemaxon):4.13

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Descriptor Annotations

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