ChemDB: Chemical Search
Download
Chemical ID: 4556801
Chemical ID:
4556801
Name [?]:
2-(pyrrolidin-1-ylmethyl)aniline
SMILES [?]:
c1ccc(c(c1)CN2CCCC2)N
InChi [?]:
InChI=1/C11H16N2/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,7,5,4,13,8/E:(3,4)(7,8)/rA:13nCCCCCCCNCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2785 |
Area: | 345.447 |
Solvation: | -1.35766 |
Coulombic: | -22.3202 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.48 |
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 |
---|