ChemDB: Chemical Search
Download
Chemical ID: 5113038
Chemical ID:
5113038
Name [?]:
4-methyl-9-azaspiro[5.5]undecane
SMILES [?]:
CC1CCCC2(C1)CCNCC2
InChi [?]:
InChI=1/C11H21N/c1-10-3-2-4-11(9-10)5-7-12-8-6-11/h10,12H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,8,12,9,11,7,2,6,10/E:(5,6)(7,8)/rA:12cCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s6s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.51809 |
Area: | 323.963 |
Solvation: | -0.580997 |
Coulombic: | -10.3151 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 167.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.68 |
LogP (Chemaxon): | 2.3 |
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 |
---|