Chemical ID: 5872653

CC1c2ccccc2CCN1C(=O)CNCCC(C)C
Chemical ID:
5872653
Name [?]:
2-isopentylamino-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone
SMILES [?]:
CC1c2ccccc2CCN1C(=O)CNCCC(C)C
InChi [?]:
InChI=1/C17H26N2O/c1-13(2)8-10-18-12-17(20)19-11-9-15-6-4-5-7-16(15)14(19)3/h4-7,13-14,18H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,6,5,7,4,17,9,16,10,14,18,2,8,3,12,15,11,13/E:(1,2)/rA:20cCCCCCCCCCCNCOCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;d12;s12;s14;s15;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.68921
Area:490.754
Solvation:-2.57965
Coulombic:-26.6277
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):2.67

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Descriptor Annotations

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