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Chemical ID: 6686396
Chemical ID:
6686396
Name [?]:
N-(1,1-dimethylpropyl)-2-methyl-heptan-2-amine
SMILES [?]:
CCCCCC(C)(C)NC(C)(C)CC
InChi [?]:
InChI=1/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,14,11,12,7,8,2,13,3,4,5,10,6,9/E:(3,4)(5,6)/rA:14nCCCCCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s6;s9;s10;s10;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H29N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60687 |
Area: | 406.239 |
Solvation: | -0.549112 |
Coulombic: | -11.1509 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 199.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.85 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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