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Chemical ID: 3999530
Chemical ID:
3999530
Name [?]:
2-pyrrolidin-1-yl-2-(2-thienyl)ethanamine
SMILES [?]:
c1cc(sc1)C(CN)N2CCCC2
InChi [?]:
InChI=1/C10H16N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,10,13,5,7,6,3,8,9,4/E:(1,2)(5,6)/rA:13cCCCSCCCNNCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s6;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.37391 |
Area: | 358.169 |
Solvation: | -1.58032 |
Coulombic: | -18.135 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 196.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.67 |
LogP (Chemaxon): | 0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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