ChemDB: Chemical Search
Download
Chemical ID: 7090769
Chemical ID:
7090769
Name [?]:
1-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane
SMILES [?]:
C1CCN(C1)CCCN2CCCNCC2
InChi [?]:
InChI=1/C12H25N3/c1-2-8-14(7-1)10-4-11-15-9-3-5-13-6-12-15/h13H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,11,7,12,14,5,3,10,6,8,15,13,4,9/E:(1,2)(7,8)/rA:15cCCCNCCCCNCCCNCC/rB:s1;s2;s3;s1s4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N3 |
All Atoms: | 40 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53314 |
Area: | 407.395 |
Solvation: | -1.65173 |
Coulombic: | -18.3566 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.01 |
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 |
---|