Chemical ID: 4619258

CC1(C2CCC1(C(C2)OCC[N+]3(CCCC3)C)C)C
Chemical ID:
4619258
Name [?]:
1-methyl-1-[2-(1,7,7-trimethylnorbornan-2-yl)oxyethyl]-2,3,4,5-tetrahydropyrrole
SMILES [?]:
CC1(C2CCC1(C(C2)OCC[N+]3(CCCC3)C)C)C
InChi [?]:
InChI=1/C17H32NO/c1-16(2)14-7-8-17(16,3)15(13-14)19-12-11-18(4)9-5-6-10-18/h14-15H,5-13H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,19,18,17,14,15,4,5,13,16,11,10,8,3,7,2,6,12,9/E:(1,2)(5,6)(9,10)/CRV:18+1/rA:19cCCCCCCCCOCCN+CCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s7;s9;s10;s11;s12;s13;s14;s12s15;s12;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H32NO+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:-15.6222
Area:443.28
Solvation:-26.7042
Coulombic:12.0759
Bond Count [?]
All:21
Single:21
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.442
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):-1.57

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Descriptor Annotations

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