RNE

(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

Created: 2016-01-05
Last modified:  2016-03-02

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count52
Aromatic Bond Count0
2D diagram of RNE
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Chemical Component Summary

Name(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
Systematic Name (OpenEye OEToolkits)(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
FormulaC20 H31 N
Molecular Weight285.467
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(=CCN)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
SMILESOpenEye OEToolkits2.0.4CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCN)C)C
Canonical SMILESCACTVS3.385 CC(=C/CN)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
Canonical SMILESOpenEye OEToolkits2.0.4 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C
InChIInChI1.03 InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyInChI1.03 ILYSIVSSNXQZQG-OVSJKPMPSA-N

Related Resource References

Resource NameReference
PubChem 444596