Chemical ID: 6935841

CCCC(C)C(=O)N1CCc2ccccc2C1
Chemical ID:
6935841
Name [?]:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-pentan-1-one
SMILES [?]:
CCCC(C)C(=O)N1CCc2ccccc2C1
InChi [?]:
InChI=1/C15H21NO/c1-3-6-12(2)15(17)16-10-9-13-7-4-5-8-14(13)11-16/h4-5,7-8,12H,3,6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,13,14,3,12,15,10,9,17,4,11,16,6,8,7/rA:17cCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO
All Atoms:38
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.80101
Area:425.547
Solvation:-1.83765
Coulombic:-17.9932
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):3.2

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Descriptor Annotations

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