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Chemical ID: 7101881
Chemical ID:
7101881
Name [?]:
N-(4-pyridylmethyl)pentan-1-amine
SMILES [?]:
CCCCCNCc1ccncc1
InChi [?]:
InChI=1/C11H18N2/c1-2-3-4-7-13-10-11-5-8-12-9-6-11/h5-6,8-9,13H,2-4,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,13,5,10,12,7,8,11,6/E:(5,6)(8,9)/rA:13nCCCCCNCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2 |
All Atoms: | 31 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18912 |
Area: | 394.689 |
Solvation: | -1.67811 |
Coulombic: | -14.3836 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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