Chemical ID: 5083771

CC(C)COCC(CNCCN)O
Chemical ID:
5083771
Name [?]:
1-(2-aminoethylamino)-3-isobutoxy-propan-2-ol
SMILES [?]:
CC(C)COCC(CNCCN)O
InChi [?]:
InChI=1/C9H22N2O2/c1-8(2)6-13-7-9(12)5-11-4-3-10/h8-9,11-12H,3-7,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,8,4,6,2,7,12,9,13,5/E:(1,2)/rA:13cCCCCOCCCNCCNO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H22N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.84963
Area:415.127
Solvation:-4.52853
Coulombic:-44.9245
Bond Count [?]
All:12
Single:12
Double:0
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:190.283
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.74
LogP (Chemaxon):-0.32

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