ChemDB: Chemical Search
Download
Chemical ID: 4255219
Chemical ID:
4255219
Name [?]:
N-(cyclohexylmethyl)cyclohexanamine
SMILES [?]:
C1CCC(CC1)CNC2CCCCC2
InChi [?]:
InChI=1/C13H25N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h12-14H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,10,14,7,4,9,8/E:(3,4)(5,6)(7,8)(9,10)/rA:14nCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20472 |
Area: | 388.868 |
Solvation: | -0.516984 |
Coulombic: | -11.125 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.28 |
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 |
---|