Chemical ID: 4122456

c1cc2c(cc1CNC3CCCC3)OCO2
Chemical ID:
4122456
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)cyclopentanamine
SMILES [?]:
c1cc2c(cc1CNC3CCCC3)OCO2
InChi [?]:
InChI=1/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,1,2,5,7,15,6,9,3,4,8,16,14/E:(1,2)(3,4)/rA:16nCCCCCCCNCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s9s12;s4;s14;s3s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.65017
Area:406.501
Solvation:-2.51236
Coulombic:-26.1755
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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