ChemDB: Chemical Search
Download
Chemical ID: 7109026
Chemical ID:
7109026
Name [?]:
N-[(4-isopropylphenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)c1ccc(cc1)CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H31N/c1-14(2)16-10-8-15(9-11-16)12-19-18(6,7)13-17(3,4)5/h8-11,14,19H,12-13H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,19,13,14,6,8,5,9,10,15,2,7,4,16,12,11/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12;s12;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N |
All Atoms: | 50 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1495 |
Area: | 482.22 |
Solvation: | -0.905967 |
Coulombic: | -12.3635 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.28 |
LogP (Chemaxon): | 5.23 |
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 |
---|