Chemical ID: 4935058

CCC(C#N)NCc1ccc(cc1)CNC(CC)C#N
Chemical ID:
4935058
Name [?]:
2-[[4-(1-cyanopropylaminomethyl)phenyl]methylamino]butanenitrile
SMILES [?]:
CCC(C#N)NCc1ccc(cc1)CNC(CC)C#N
InChi [?]:
InChI=1/C16H22N4/c1-3-15(9-17)19-11-13-5-7-14(8-6-13)12-20-16(4-2)10-18/h5-8,15-16,19-20H,3-4,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,9,13,10,12,4,19,7,14,8,11,3,16,5,20,6,15/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20cCCCCNNCCCCCCCCNCCCCN/rB:s1;s2;s3;t4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:10.6273
Area:537.871
Solvation:-2.81946
Coulombic:-25.3673
Bond Count [?]
All:20
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:270.373
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):2.87

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