Chemical ID: 7122299

CC(C)OCC(C[NH+]1CC[NH+](CC1)C)O
Chemical ID:
7122299
Name [?]:
1-isopropoxy-3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-propan-2-ol
SMILES [?]:
CC(C)OCC(C[NH+]1CC[NH+](CC1)C)O
InChi [?]:
InChI=1/C11H24N2O2/c1-10(2)15-9-11(14)8-13-6-4-12(3)5-7-13/h10-11,14H,4-9H2,1-3H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,14,10,12,9,13,7,5,2,6,11,8,15,4/E:(1,2)(4,5)(6,7)/rA:15cCCCOCCCN+CCN+CCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s11;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H26N2O2+2
All Atoms:41
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-97.6437
Area:424.26
Solvation:-108.25
Coulombic:90.1415
Bond Count [?]
All:15
Single:15
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.336
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.27
LogP (Chemaxon):0.18

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Descriptor Annotations

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