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Chemical ID: 5201295
Chemical ID:
5201295
Name [?]:
2-cyclohexyl-3-isopropylamino-propanenitrile
SMILES [?]:
CC(C)NCC(C#N)C1CCCCC1
InChi [?]:
InChI=1/C12H22N2/c1-10(2)14-9-12(8-13)11-6-4-3-5-7-11/h10-12,14H,3-7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,14,7,5,2,9,6,8,4/E:(1,2)(4,5)(6,7)/rA:14cCCCNCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;t7;s6;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.79386 |
Area: | 400.598 |
Solvation: | -1.2211 |
Coulombic: | -12.9558 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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