Chemical ID: 4297003

CC1CCCCC1NCc2ccc3c(c2)OCO3
Chemical ID:
4297003
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-methyl-cyclohexan-1-amine
SMILES [?]:
CC1CCCCC1NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C15H21NO2/c1-11-4-2-3-5-13(11)16-9-12-6-7-14-15(8-12)18-10-17-14/h6-8,11,13,16H,2-5,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,11,12,15,9,17,2,10,7,13,14,8,18,16/rA:18cCCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.41177
Area:437.017
Solvation:-2.51365
Coulombic:-26.683
Bond Count [?]
All:20
Single:17
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.333
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):3.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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