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Chemical ID: 5223525
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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