Chemical ID: 4730106

c1ccnc(c1)CCNCCC#N
Chemical ID:
4730106
Name [?]:
3-[2-(2-pyridyl)ethylamino]propanenitrile
SMILES [?]:
c1ccnc(c1)CCNCCC#N
InChi [?]:
InChI=1/C10H13N3/c11-6-3-7-12-9-5-10-4-1-2-8-13-10/h1-2,4,8,12H,3,5,7,9H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,7,12,10,3,8,5,13,9,4/rA:13nCCCNCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.51692
Area:387.253
Solvation:-2.1644
Coulombic:-15.6876
Bond Count [?]
All:13
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:175.23
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.18
LogP (Chemaxon):0.65

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Descriptor Annotations

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