Chemical ID: 5201295

CC(C)NCC(C#N)C1CCCCC1
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

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Descriptor Annotations

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