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Chemical ID: 7108616
Chemical ID:
7108616
Name [?]:
2,4,4-trimethyl-N-(o-tolylmethyl)pentan-2-amine
SMILES [?]:
Cc1ccccc1CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C16H27N/c1-13-9-7-8-10-14(13)11-17-16(5,6)12-15(2,3)4/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,11,12,4,5,3,6,8,13,2,7,14,10,9/E:(2,3,4)(5,6)/rA:17nCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s10;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27N |
All Atoms: | 44 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59684 |
Area: | 420.848 |
Solvation: | -0.924366 |
Coulombic: | -11.7135 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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