Chemical ID: 4682356

CCCCCCC1CCN(C1)Cc2ccccc2
Chemical ID:
4682356
Name [?]:
1-benzyl-3-hexyl-pyrrolidine
SMILES [?]:
CCCCCCC1CCN(C1)Cc2ccccc2
InChi [?]:
InChI=1/C17H27N/c1-2-3-4-6-11-17-12-13-18(15-17)14-16-9-7-5-8-10-16/h5,7-10,17H,2-4,6,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,5,15,17,14,18,6,8,9,12,11,13,7,10/E:(7,8)(9,10)/rA:18cCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:11.0304
Area:488.594
Solvation:-1.18447
Coulombic:-8.63909
Bond Count [?]
All:19
Single:16
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:245.403
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.42
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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