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Chemical ID: 6659162
Chemical ID:
6659162
Name [?]:
N,N,N',N'-tetrabutylmethanediamine
SMILES [?]:
CCCCN(CCCC)CN(CCCC)CCCC
InChi [?]:
InChI=1/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,15,19,2,8,14,18,3,7,13,17,4,6,12,16,10,5,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(18,19)/rA:19nCCCCNCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;s11;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H38N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6326 |
Area: | 557.714 |
Solvation: | -1.31026 |
Coulombic: | -12.569 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 270.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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