Chemical ID: 5098189

C1CCC(CC1)(CC#N)N2CCCC2
Chemical ID:
5098189
Name [?]:
2-(1-pyrrolidin-1-ylcyclohexyl)acetonitrile
SMILES [?]:
C1CCC(CC1)(CC#N)N2CCCC2
InChi [?]:
InChI=1/C12H20N2/c13-9-8-12(6-2-1-3-7-12)14-10-4-5-11-14/h1-8,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,7,8,11,14,4,9,10/E:(2,3)(4,5)(6,7)(10,11)/rA:14nCCCCCCCCNNCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;t8;s4;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.28755
Area:347.835
Solvation:-1.40832
Coulombic:-8.09569
Bond Count [?]
All:15
Single:14
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.301
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):1.86

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Descriptor Annotations

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