Chemical ID: 7339998

CC[N+]12CCCCC1C(CCC2)CO
Chemical ID:
7339998
Name [?]:
(4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-yl)methanol
SMILES [?]:
CC[N+]12CCCCC1C(CCC2)CO
InChi [?]:
InChI=1/C12H24NO/c1-2-13-8-4-3-7-12(13)11(10-14)6-5-9-13/h11-12,14H,2-10H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,5,11,10,7,4,12,13,9,8,3,14/CRV:13+1/rA:14cCCN+CCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;s3s11;s9;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24NO+
All Atoms:38
Heavy Atoms:14
Chiral Atoms:3
ZAP Information [?]
Total:-18.0261
Area:354.937
Solvation:-26.8995
Coulombic:6.301
Bond Count [?]
All:15
Single:15
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.325
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.14
LogP (Chemaxon):-3.26

Name Annotations

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Descriptor Annotations

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