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Chemical ID: 4730106
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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