Chemical ID: 4953606

CCCC[N+]1(CCCC1c2cccnc2)C
Chemical ID:
4953606
Name [?]:
3-(1-butyl-1-methyl-2,3,4,5-tetrahydropyrrol-2-yl)pyridine
SMILES [?]:
CCCC[N+]1(CCCC1c2cccnc2)C
InChi [?]:
InChI=1/C14H23N2/c1-3-4-10-16(2)11-6-8-14(16)13-7-5-9-15-12-13/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,16,2,3,12,7,11,8,13,4,6,15,10,9,14,5/CRV:16+1/rA:16cCCCCN+CCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:-17.4455
Area:407.23
Solvation:-27.6263
Coulombic:18.863
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.346
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.21
LogP (Chemaxon):-2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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