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Chemical ID: 7101516
Chemical ID:
7101516
Name [?]:
3-ethoxy-N-(3-pyridylmethyl)propan-1-amine
SMILES [?]:
CCOCCCNCc1cccnc1
InChi [?]:
InChI=1/C11H18N2O/c1-2-14-8-4-7-13-10-11-5-3-6-12-9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,5,10,12,6,4,14,8,9,13,7,3/rA:14nCCOCCCNCCCCCNC/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: | 7.02653 |
Area: | 415.441 |
Solvation: | -3.3595 |
Coulombic: | -21.0055 |
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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