ChemDB: Chemical Search
Download
Chemical ID: 4288717
Chemical ID:
4288717
Name [?]:
1-methyl-4-(3-methylcyclohexyl)-1,4-diazepane
SMILES [?]:
CC1CCCC(C1)N2CCCN(CC2)C
InChi [?]:
InChI=1/C13H26N2/c1-12-5-3-6-13(11-12)15-8-4-7-14(2)9-10-15/h12-13H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,10,3,5,11,9,13,14,7,2,6,12,8/rA:15cCCCCCCCNCCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s8s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.71886 |
Area: | 389.677 |
Solvation: | -1.02306 |
Coulombic: | -10.9507 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.93 |
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 |
---|