ChemDB: Chemical Search
Download
Chemical ID: 4977481
Chemical ID:
4977481
Name [?]:
2-pentyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
CCCCCN1CCc2ccccc2C1
InChi [?]:
InChI=1/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,4,10,13,8,5,7,15,9,14,6/rA:15cCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s6s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.05731 |
Area: | 406.557 |
Solvation: | -1.10663 |
Coulombic: | -7.41286 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.52 |
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 |
---|