Chemical ID: 7101514

CCOCCCNCc1cccs1
Chemical ID:
7101514
Name [?]:
3-ethoxy-N-(2-thienylmethyl)propan-1-amine
SMILES [?]:
CCOCCCNCc1cccs1
InChi [?]:
InChI=1/C10H17NOS/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,5,10,6,4,12,8,9,7,3,13/rA:13nCCOCCCNCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17NOS
All Atoms:30
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.67105
Area:414.69
Solvation:-2.69619
Coulombic:-17.6775
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:199.314
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.19
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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