Chemical ID: 4953601

C[n+]1cccc(c1)C2CCC[N+]2(C)C
Chemical ID:
4953601
Name [?]:
3-(1,1-dimethyl-2,3,4,5-tetrahydropyrrol-2-yl)-1-methyl-pyridine
SMILES [?]:
C[n+]1cccc(c1)C2CCC[N+]2(C)C
InChi [?]:
InChI=1/C12H20N2/c1-13-8-4-6-11(10-13)12-7-5-9-14(12,2)3/h4,6,8,10,12H,5,7,9H2,1-3H3/q+2
InChi Info:
AuxInfo=1/0/N:1,13,14,4,10,5,9,3,11,7,6,8,2,12/E:(2,3)/CRV:13+1,14+1/rA:14cCN+CCCCCCCCCN+CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2+2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-79.5016
Area:358.112
Solvation:-88.4544
Coulombic:81.3434
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.301
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.17
LogP (Chemaxon):-7.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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