Chemical ID: 4536936

c1c(cnc2c1CCC2)CN
Chemical ID:
4536936
Name [?]:
2-azabicyclo[4.3.0]nona-1,3,5-trien-4-ylmethanamine
SMILES [?]:
c1c(cnc2c1CCC2)CN
InChi [?]:
InChI=1/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2
InChi Info:
AuxInfo=1/0/N:8,7,9,1,10,3,2,6,5,11,4/rA:11nCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s2;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.20803
Area:310.433
Solvation:-1.55279
Coulombic:-16.5715
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:148.205
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.24
LogP (Chemaxon):0.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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