Chemical ID: 5216375

CC[N+]1(CCCCC1)C
Chemical ID:
5216375
Name [?]:
1-ethyl-1-methyl-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
CC[N+]1(CCCCC1)C
InChi [?]:
InChI=1/C8H18N/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,2,6,5,7,4,8,3/E:(5,6)(7,8)/CRV:9+1/rA:9nCCN+CCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H18N+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-19.9393
Area:278.512
Solvation:-26.9021
Coulombic:22.7431
Bond Count [?]
All:9
Single:9
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:128.235
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.08
LogP (Chemaxon):-3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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