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Chemical ID: 5257610
Chemical ID:
5257610
Name [?]:
2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridine
SMILES [?]:
CC1(CCCC([NH2+]1)(C)C)C
InChi [?]:
InChI=1/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,8,9,4,3,5,2,6,7/E:(1,2,3,4)(6,7)(8,9)/rA:10nCCCCCCN+CCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s2;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20N+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.1159 |
Area: | 298.456 |
Solvation: | -29.5773 |
Coulombic: | 31.8459 |
Bond Count [?]
All: | 10 |
Single: | 10 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 142.262 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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