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Chemical ID: 4118698
Chemical ID:
4118698
Name [?]:
N,N-diisobutylpentane-1,5-diamine
SMILES [?]:
CC(C)CN(CCCCCN)CC(C)C
InChi [?]:
InChI=1/C13H30N2/c1-12(2)10-15(11-13(3)4)9-7-5-6-8-14/h12-13H,5-11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,8,9,7,10,6,4,12,2,13,11,5/E:(1,2,3,4)(10,11)(12,13)/rA:15nCCCCNCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s5;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H30N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4307 |
Area: | 455.716 |
Solvation: | -0.962203 |
Coulombic: | -19.2859 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 214.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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