Chemical ID: 4521506

CC[N+]1=C(C(c2c1cccc2)(C)C)C
Chemical ID:
4521506
Name [?]:
1-ethyl-2,3,3-trimethyl-indole
SMILES [?]:
CC[N+]1=C(C(c2c1cccc2)(C)C)C
InChi [?]:
InChI=1/C13H18N/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14/h6-9H,5H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,12,13,2,10,9,11,8,4,6,7,5,3/E:(3,4)/CRV:14+1/rA:14nCCN+CCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s3s6;d7;s8;d9;d6s10;s5;s5;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-15.3785
Area:359.503
Solvation:-24.366
Coulombic:16.8415
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:188.289
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.7
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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