Chemical ID: 5223525

CC[N+]1(c2ccccc2CC1C)CC
Chemical ID:
5223525
Name [?]:
1,1-diethyl-2-methyl-2,3-dihydroindole
SMILES [?]:
CC[N+]1(c2ccccc2CC1C)CC
InChi [?]:
InChI=1/C13H20N/c1-4-14(5-2)11(3)10-12-8-6-7-9-13(12)14/h6-9,11H,4-5,10H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,12,2,13,7,6,8,5,10,11,9,4,3/E:(1,2)(4,5)/CRV:14+1/rA:14cCCN+CCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;s11;s3;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-15.8524
Area:351.128
Solvation:-24.6306
Coulombic:20.8416
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.305
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.51
LogP (Chemaxon):-1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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