ChemDB: Chemical Search
Download
Chemical ID: 4152104
Chemical ID:
4152104
Name [?]:
None
SMILES [?]:
CCN(CC)CCCNc1c2ccccc2nc3c1CCC3
InChi [?]:
InChI=1/C19H27N3/c1-3-22(4-2)14-8-13-20-19-15-9-5-6-11-17(15)21-18-12-7-10-16(18)19/h5-6,9,11H,3-4,7-8,10,12-14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,21,7,12,20,15,22,8,6,11,19,16,18,10,9,17,3/E:(1,2)(3,4)/rA:22nCCNCCCCCNCCCCCCCNCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2376 |
Area: | 528.717 |
Solvation: | -1.98031 |
Coulombic: | -22.6165 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.18 |
LogP (Chemaxon): | 3.19 |
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 |
---|