[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium

C23H36N+ — CID 7322937

IUPAC[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium
SMILESC=CC[NH2+]C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3/p+1/b11-8+,14-13+,19-10+,20-15+
InChIKeyJUQPVAWSCLEOCQ-FYOPFYCYSA-O
MW326.55 g/mol
LogP5.27
Rot. Bonds8

About [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium

[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium (PubChem CID 7322937) has the molecular formula C23H36N+ and a molecular weight of 326.55 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-tetraenyl]-prop-2-enylazanium.

Molecular Properties

Compound Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium
PubChem CID7322937
Molecular FormulaC23H36N+
Molecular Weight326.55 g/mol
Exact Mass326.28
IUPAC Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium
SMILESC=CC[NH2+]C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3/p+1/b11-8+,14-13+,19-10+,20-15+
InChIKeyJUQPVAWSCLEOCQ-FYOPFYCYSA-O
XLogP5.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium with MolForge

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Launch Full Analysis

Related Compounds

Retinylamine
CID 444596
(2E,4E,6E)-5-methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 57814841
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 101387724
(2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373940
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373945
(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaen-1-amine
CID 121373950
N-Acetylretinylamine
CID 20839428
(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373938
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373971
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2-methylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373973
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(cyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373974
(2E,4Z,6E)-5-tert-butyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373982

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-tetraenyl]-prop-2-enylazanium?
The IUPAC name of [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium (CID 7322937) is [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium.
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-tetraenyl]-prop-2-enylazanium?
The canonical SMILES for [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium is C=CC[NH2+]C/C=C(C)/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-tetraenyl]-prop-2-enylazanium?
The InChIKey is JUQPVAWSCLEOCQ-FYOPFYCYSA-O. The full InChI is InChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h7-8,10-11,13-15,24H,1,9,12,16-18H2,2-6H3/p+1/b11-8+,14-13+,19-10+,20-15+.
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-tetraenyl]-prop-2-enylazanium?
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]-prop-2-enylazanium has a molecular weight of 326.55 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 0 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-tetraenyl]-prop-2-enylazanium is sourced from PubChem (CID 7322937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).