[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

C66H97N2+ — CID 91561242

IUPAC[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C=C(/C=C\[N+](=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)CCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C43H62N.C23H35N/c1-12-31-44(32-27-36(4)19-13-17-34(2)23-25-40-38(6)21-15-29-42(40,8)9)33-28-37(5)20-14-18-35(3)24-26-41-39(7)22-16-30-43(41,10)11;1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h13-14,17-20,23-28,32-33H,4,12,15-16,21-22,29-31H2,1-3,5-11H3;8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/q+1;/b19-13+,20-14+,25-23+,26-24+,32-27-,34-17+,35-18+,37-28+,44-33+;11-8+,14-13+,18-15-,19-10+
InChIKeyRYMRNZLOZITLCW-PWSRBGNTSA-N
MW918.52 g/mol
LogP19.31
Rot. Bonds21

About [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (PubChem CID 91561242) has the molecular formula C66H97N2+ and a molecular weight of 918.52 g/mol. Its IUPAC name is [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
PubChem CID91561242
Molecular FormulaC66H97N2+
Molecular Weight918.52 g/mol
Exact Mass917.76
IUPAC Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C=C(/C=C\[N+](=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)CCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C43H62N.C23H35N/c1-12-31-44(32-27-36(4)19-13-17-34(2)23-25-40-38(6)21-15-29-42(40,8)9)33-28-37(5)20-14-18-35(3)24-26-41-39(7)22-16-30-43(41,10)11;1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h13-14,17-20,23-28,32-33H,4,12,15-16,21-22,29-31H2,1-3,5-11H3;8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/q+1;/b19-13+,20-14+,25-23+,26-24+,32-27-,34-17+,35-18+,37-28+,44-33+;11-8+,14-13+,18-15-,19-10+
InChIKeyRYMRNZLOZITLCW-PWSRBGNTSA-N
XLogP19.31
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.52
LogP ≤ 519.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The IUPAC name of [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (CID 91561242) is [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The canonical SMILES for [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is C=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C=C(/C=C\[N+](=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)CCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The InChIKey is RYMRNZLOZITLCW-PWSRBGNTSA-N. The full InChI is InChI=1S/C43H62N.C23H35N/c1-12-31-44(32-27-36(4)19-13-17-34(2)23-25-40-38(6)21-15-29-42(40,8)9)33-28-37(5)20-14-18-35(3)24-26-41-39(7)22-16-30-43(41,10)11;1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h13-14,17-20,23-28,32-33H,4,12,15-16,21-22,29-31H2,1-3,5-11H3;8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/q+1;/b19-13+,20-14+,25-23+,26-24+,32-27-,34-17+,35-18+,37-28+,44-33+;11-8+,14-13+,18-15-,19-10+.
What are the key properties of [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine has a molecular weight of 918.52 g/mol, XLogP of 19.31, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-[(1Z,4E,6E,8E)-7-methyl-3-methylidene-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraenyl]-propylazanium;(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 91561242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).