Chemical ID: 4562271

c1cc(cnc1)C2N3CCCN2CC3
Chemical ID:
4562271
Name [?]:
8-(3-pyridyl)-1,5-diazabicyclo[3.2.1]octane
SMILES [?]:
c1cc(cnc1)C2N3CCCN2CC3
InChi [?]:
InChI=1/C11H15N3/c1-3-10(9-12-4-1)11-13-5-2-6-14(11)8-7-13/h1,3-4,9,11H,2,5-8H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,14,13,4,3,7,5,8,12/E:(5,6)(7,8)(13,14)/rA:14cCCCCNCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s7s11;s12;s8s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.60735
Area:334.285
Solvation:-1.74977
Coulombic:-14.5463
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.257
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.55
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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