Chemical ID: 7434531

c1ccnc(c1)CN2CCCNCC2
Chemical ID:
7434531
Name [?]:
1-(2-pyridylmethyl)-1,4-diazepane
SMILES [?]:
c1ccnc(c1)CN2CCCNCC2
InChi [?]:
InChI=1/C11H17N3/c1-2-6-13-11(4-1)10-14-8-3-5-12-7-9-14/h1-2,4,6,12H,3,5,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,11,3,13,9,14,7,5,12,4,8/rA:14cCCCNCCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N3
All Atoms:31
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.16446
Area:363.464
Solvation:-1.92213
Coulombic:-18.5956
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.273
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.37
LogP (Chemaxon):0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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