ChemDB: Chemical Search
Download
Chemical ID: 7432296
Chemical ID:
7432296
Name [?]:
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
SMILES [?]:
CN1CCC(C2C1CCCC2)N
InChi [?]:
InChI=1/C10H20N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h8-10H,2-7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,4,3,6,5,7,12,2/rA:12cCNCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2 |
All Atoms: | 32 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.92045 |
Area: | 315.885 |
Solvation: | -0.976663 |
Coulombic: | -17.7948 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.17 |
LogP (Chemaxon): | 0.64 |
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 |
---|