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Chemical ID: 6924426
Chemical ID:
6924426
Name [?]:
N-(3-diethylaminopropyl)pentanamide
SMILES [?]:
CCCCC(=O)NCCCN(CC)CC
InChi [?]:
InChI=1/C12H26N2O/c1-4-7-9-12(15)13-10-8-11-14(5-2)6-3/h4-11H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,13,15,2,12,14,3,9,4,8,10,5,7,11,6/E:(2,3)(5,6)/rA:15nCCCCCONCCCNCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H26N2O |
All Atoms: | 41 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59328 |
Area: | 464.055 |
Solvation: | -2.0081 |
Coulombic: | -25.8999 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 214.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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