ChemDB: Chemical Search
Download
Chemical ID: 7105452
Chemical ID:
7105452
Name [?]:
N-(p-tolylmethyl)cycloheptanamine
SMILES [?]:
Cc1ccc(cc1)CNC2CCCCCC2
InChi [?]:
InChI=1/C15H23N/c1-13-8-10-14(11-9-13)12-16-15-6-4-2-3-5-7-15/h8-11,15-16H,2-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,11,16,3,7,4,6,8,2,5,10,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:16nCCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s10s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N |
All Atoms: | 39 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49949 |
Area: | 420.359 |
Solvation: | -1.00949 |
Coulombic: | -11.603 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.02 |
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 |
---|