Chemical ID: 5083804

CCCCCCOCC(CNCCN)O
Chemical ID:
5083804
Name [?]:
1-(2-aminoethylamino)-3-hexoxy-propan-2-ol
SMILES [?]:
CCCCCCOCC(CNCCN)O
InChi [?]:
InChI=1/C11H26N2O2/c1-2-3-4-5-8-15-10-11(14)9-13-7-6-12/h11,13-14H,2-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,13,12,6,10,8,9,14,11,15,7/rA:15cCCCCCCOCCCNCCNO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H26N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.1908
Area:474.618
Solvation:-4.67464
Coulombic:-45.4833
Bond Count [?]
All:14
Single:14
Double:0
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:218.336
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:0.67
LogP (Chemaxon):0.47

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Experimental Annotations

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Descriptor Annotations

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