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Chemical ID: 7101515
Chemical ID:
7101515
Name [?]:
3-ethoxy-N-(4-pyridylmethyl)propan-1-amine
SMILES [?]:
CCOCCCNCc1ccncc1
InChi [?]:
InChI=1/C11H18N2O/c1-2-14-9-3-6-13-10-11-4-7-12-8-5-11/h4-5,7-8,13H,2-3,6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,10,14,6,11,13,4,8,9,12,7,3/E:(4,5)(7,8)/rA:14nCCOCCCNCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02266 |
Area: | 416.995 |
Solvation: | -3.40222 |
Coulombic: | -20.8152 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 194.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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