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Chemical ID: 4953606
Chemical ID:
4953606
Name [?]:
3-(1-butyl-1-methyl-2,3,4,5-tetrahydropyrrol-2-yl)pyridine
SMILES [?]:
CCCC[N+]1(CCCC1c2cccnc2)C
InChi [?]:
InChI=1/C14H23N2/c1-3-4-10-16(2)11-6-8-14(16)13-7-5-9-15-12-13/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,16,2,3,12,7,11,8,13,4,6,15,10,9,14,5/CRV:16+1/rA:16cCCCCN+CCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N2+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -17.4455 |
Area: | 407.23 |
Solvation: | -27.6263 |
Coulombic: | 18.863 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.21 |
LogP (Chemaxon): | -2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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