ChemDB: Chemical Search
Download
Chemical ID: 5191633
Chemical ID:
5191633
Name [?]:
1-cyclohexoxy-3-methylamino-propan-2-ol
SMILES [?]:
CNCC(COC1CCCCC1)O
InChi [?]:
InChI=1/C10H21NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,3,5,4,7,2,13,6/E:(3,4)(5,6)/rA:13cCNCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.3931 |
Area: | 385.53 |
Solvation: | -4.24515 |
Coulombic: | -33.003 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 187.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.84 |
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 |
---|