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Chemical ID: 5047061
Chemical ID:
5047061
Name [?]:
N,N-diisopentylbutanamide
SMILES [?]:
CCCC(=O)N(CCC(C)C)CCC(C)C
InChi [?]:
InChI=1/C14H29NO/c1-6-7-14(16)15(10-8-12(2)3)11-9-13(4)5/h12-13H,6-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,11,15,16,2,3,8,13,7,12,9,14,4,6,5/E:(2,3,4,5)(8,9)(10,11)(12,13)/rA:16nCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s9;s6;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H29NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3176 |
Area: | 472.885 |
Solvation: | -1.50453 |
Coulombic: | -18.0575 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 227.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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