Chemical ID: 7087128

CC(C)CN1CCN(CC1)C(=O)CCN
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

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Descriptor Annotations

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