Chemical ID: 5055446

CC[N+]1(C2CCC1CC(C2)O)C
Chemical ID:
5055446
Name [?]:
8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILES [?]:
CC[N+]1(C2CCC1CC(C2)O)C
InChi [?]:
InChI=1/C10H20NO/c1-3-11(2)8-4-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,2,5,6,10,8,4,7,9,3,11/E:(4,5)(6,7)(8,9)/CRV:11+1/rA:12cCCN+CCCCCCCOC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s4s9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20NO+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:-19.8997
Area:316.918
Solvation:-27.8227
Coulombic:8.09548
Bond Count [?]
All:13
Single:13
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.272
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.37
LogP (Chemaxon):-4.06

Name Annotations

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Descriptor Annotations

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