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Chemical ID: 7087128
Chemical ID:
7087128
Name [?]:
3-amino-1-(4-isobutylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CC(C)CN1CCN(CC1)C(=O)CCN
InChi [?]:
InChI=1/C11H23N3O/c1-10(2)9-13-5-7-14(8-6-13)11(15)3-4-12/h10H,3-9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,6,10,7,9,4,2,11,15,5,8,12/E:(1,2)(5,6)(7,8)/rA:15nCCCCNCCNCCCOCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23N3O |
All Atoms: | 38 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20929 |
Area: | 416.312 |
Solvation: | -2.1985 |
Coulombic: | -32.5459 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.37 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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