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Chemical ID: 5163430
Chemical ID:
5163430
Name [?]:
N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILES [?]:
CCNC(=O)N1CC2CCC(C1)N2C
InChi [?]:
InChI=1/C10H19N3O/c1-3-11-10(14)13-6-8-4-5-9(7-13)12(8)2/h8-9H,3-7H2,1-2H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,14,2,9,10,7,12,8,11,4,3,13,6,5/E:(4,5)(6,7)(8,9)/rA:14cCCNCONCCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s6s11;s8s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.0737 |
Area: | 359.719 |
Solvation: | -1.91927 |
Coulombic: | -34.6296 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.14 |
LogP (Chemaxon): | 0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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