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Chemical ID: 4663498
Chemical ID:
4663498
Name [?]:
2,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizine
SMILES [?]:
CC1CC[N+]2(CCCCC2C1)C
InChi [?]:
InChI=1/C11H22N/c1-10-6-8-12(2)7-4-3-5-11(12)9-10/h10-11H,3-9H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,8,7,9,3,6,4,11,2,10,5/CRV:12+1/rA:12cCCCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -17.9298 |
Area: | 321.099 |
Solvation: | -25.9573 |
Coulombic: | 21.6628 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.06 |
LogP (Chemaxon): | -2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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