Chemical ID: 4981772

Cc1cnc(c(n1)N2CCCNCC2)C
Chemical ID:
4981772
Name [?]:
1-(3,6-dimethylpyrazin-2-yl)-1,4-diazepane
SMILES [?]:
Cc1cnc(c(n1)N2CCCNCC2)C
InChi [?]:
InChI=1/C11H18N4/c1-9-8-13-10(2)11(14-9)15-6-3-4-12-5-7-15/h8,12H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,10,11,13,9,14,3,2,5,6,12,4,7,8/rA:15cCCCNCCNNCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s8s13;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18N4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.29823
Area:370.561
Solvation:-1.96579
Coulombic:-25.0327
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.288
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.33
LogP (Chemaxon):0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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