Chemical ID: 3999530

c1cc(sc1)C(CN)N2CCCC2
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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