ChemDB: Chemical Search
Download
Chemical ID: 5121062
Chemical ID:
5121062
Name [?]:
N'-(3-dimethylaminopropyl)-N,N,N'-trimethyl-butane-1,4-diamine
SMILES [?]:
CN(C)CCCCN(C)CCCN(C)C
InChi [?]:
InChI=1/C12H29N3/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h6-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,9,5,6,11,4,12,7,10,2,13,8/E:(1,2)(3,4)/rA:15cCNCCCCCNCCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H29N3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.70308 |
Area: | 464.386 |
Solvation: | -1.90657 |
Coulombic: | -14.9856 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 215.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.84 |
LogP (Chemaxon): | 0.67 |
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 |
---|