ChemDB: Chemical Search
Download
Chemical ID: 5152506
Chemical ID:
5152506
Name [?]:
2-dihexylamino-1-(4-pyridyl)ethanol
SMILES [?]:
CCCCCCN(CCCCCC)CC(c1ccncc1)O
InChi [?]:
InChI=1/C19H34N2O/c1-3-5-7-9-15-21(16-10-8-6-4-2)17-19(22)18-11-13-20-14-12-18/h11-14,19,22H,3-10,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,3,11,4,10,5,9,17,21,18,20,6,8,14,16,15,19,7,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:22cCCCCCCNCCCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s7;s14;s15;s16;d17;s18;d19;d16s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H34N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9601 |
Area: | 584.811 |
Solvation: | -2.66014 |
Coulombic: | -29.3001 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 306.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.25 |
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 |
---|