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Chemical ID: 6707988
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
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Experimental Annotations
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Descriptor Annotations
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