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Chemical ID: 6419764
Chemical ID:
6419764
Name [?]:
2-methyl-N-[2-(2-pyridyl)ethyl]propan-1-amine
SMILES [?]:
CC(C)CNCCc1ccccn1
InChi [?]:
InChI=1/C11H18N2/c1-10(2)9-12-8-6-11-5-3-4-7-13-11/h3-5,7,10,12H,6,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,7,12,6,4,2,8,5,13/E:(1,2)/rA:13nCCCCNCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20068 |
Area: | 386.616 |
Solvation: | -1.46472 |
Coulombic: | -14.472 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.61 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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