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Chemical ID: 7110945
Chemical ID:
7110945
Name [?]:
N-(2-pyridylmethyl)pentan-1-amine
SMILES [?]:
CCCCCNCc1ccccn1
InChi [?]:
InChI=1/C11H18N2/c1-2-3-5-8-12-10-11-7-4-6-9-13-11/h4,6-7,9,12H,2-3,5,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,4,11,9,5,12,7,8,6,13/rA:13nCCCCCNCCCCCCN/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: | 8.28143 |
Area: | 393.098 |
Solvation: | -1.54602 |
Coulombic: | -14.9439 |
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: | 2.29 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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