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Chemical ID: 4953601
Chemical ID:
4953601
Name [?]:
3-(1,1-dimethyl-2,3,4,5-tetrahydropyrrol-2-yl)-1-methyl-pyridine
SMILES [?]:
C[n+]1cccc(c1)C2CCC[N+]2(C)C
InChi [?]:
InChI=1/C12H20N2/c1-13-8-4-6-11(10-13)12-7-5-9-14(12,2)3/h4,6,8,10,12H,5,7,9H2,1-3H3/q+2
InChi Info:
AuxInfo=1/0/N:1,13,14,4,10,5,9,3,11,7,6,8,2,12/E:(2,3)/CRV:13+1,14+1/rA:14cCN+CCCCCCCCCN+CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2+2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -79.5016 |
Area: | 358.112 |
Solvation: | -88.4544 |
Coulombic: | 81.3434 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | -0.17 |
LogP (Chemaxon): | -7.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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