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Chemical ID: 6525599
Chemical ID:
6525599
Name [?]:
diethyl-[3-(3-methylbenzoyl)aminopropyl]ammonium
SMILES [?]:
CC[NH+](CC)CCCNC(=O)c1cccc(c1)C
InChi [?]:
InChI=1/C15H24N2O/c1-4-17(5-2)11-7-10-16-15(18)14-9-6-8-13(3)12-14/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,14,7,15,13,8,6,17,16,12,10,9,3,11/E:(1,2)(4,5)/rA:18nCCN+CCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25N2O+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.2607 |
Area: | 491.134 |
Solvation: | -31.5391 |
Coulombic: | 6.40743 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.372 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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