ChemDB: Chemical Search
Download
Chemical ID: 7105451
Chemical ID:
7105451
Name [?]:
N-(p-tolylmethyl)cyclopropanamine
SMILES [?]:
Cc1ccc(cc1)CNC2CC2
InChi [?]:
InChI=1/C11H15N/c1-9-2-4-10(5-3-9)8-12-11-6-7-11/h2-5,11-12H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,12,8,2,5,10,9/E:(2,3)(4,5)(6,7)/rA:12nCCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s10s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N |
All Atoms: | 27 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8039 |
Area: | 354.247 |
Solvation: | -1.05227 |
Coulombic: | -10.3456 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 161.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.44 |
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 |
---|