Chemical ID: 6707988

CCC[NH+](CCC)CC(CN1C(=O)C(NC1=O)(C)C)O
Chemical ID:
6707988
Name [?]:
[3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-hydroxy-propyl]-dipropyl-ammonium
SMILES [?]:
CCC[NH+](CCC)CC(CN1C(=O)C(NC1=O)(C)C)O
InChi [?]:
InChI=1/C14H27N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h11,18H,5-10H2,1-4H3,(H,15,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,18,19,2,6,3,5,8,10,9,12,16,14,15,4,11,20,13,17/E:(1,2)(3,4)(5,6)(7,8)/rA:20cCCCN+CCCCCCNCOCNCOCCO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s12;s14;s11s15;d16;s14;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H28N3O3+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:-18.7742
Area:512.069
Solvation:-31.5759
Coulombic:-27.3046
Bond Count [?]
All:20
Single:18
Double:2
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.391
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.2
LogP (Chemaxon):0.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue