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Chemical ID: 4974567
Chemical ID:
4974567
Name [?]:
N-(2-cyclohexyl-1-methyl-ethyl)butan-1-amine
SMILES [?]:
CCCCNC(C)CC1CCCCC1
InChi [?]:
InChI=1/C13H27N/c1-3-4-10-14-12(2)11-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,3,12,11,13,10,14,4,8,6,9,5/E:(6,7)(8,9)/rA:14cCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H27N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.86446 |
Area: | 417.511 |
Solvation: | -0.573307 |
Coulombic: | -11.3785 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.86 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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