ChemDB: Chemical Search
Download
Chemical ID: 5083804
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|