diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium

C20H30N+ — CID 101206039

IUPACdiethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
SMILESCC[NH+](CC)C/C=C\C=C/C/C=C\Cc1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-4-21(5-2)18-12-10-8-6-7-9-11-13-20-16-14-19(3)15-17-20/h6,8-12,14-17H,4-5,7,13,18H2,1-3H3/p+1/b8-6-,11-9-,12-10-
InChIKeyLNYKIJHNIWDRBF-GCOHQANWSA-O
MW284.47 g/mol
LogP3.52
Rot. Bonds9

About diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium

diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium (PubChem CID 101206039) has the molecular formula C20H30N+ and a molecular weight of 284.47 g/mol. Its IUPAC name is diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium.

Molecular Properties

Compound Namediethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
PubChem CID101206039
Molecular FormulaC20H30N+
Molecular Weight284.47 g/mol
Exact Mass284.24
IUPAC Namediethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
SMILESCC[NH+](CC)C/C=C\C=C/C/C=C\Cc1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-4-21(5-2)18-12-10-8-6-7-9-11-13-20-16-14-19(3)15-17-20/h6,8-12,14-17H,4-5,7,13,18H2,1-3H3/p+1/b8-6-,11-9-,12-10-
InChIKeyLNYKIJHNIWDRBF-GCOHQANWSA-O
XLogP3.52
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium with MolForge

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Related Compounds

1-hex-2-enyl-4-methylbenzene
CID 54148468
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
tetrakis(4-methylphenyl)boranuide;triethylazanium
CID 21469884
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
CID 6445393
(E)-4-(4-methylphenyl)but-2-enamide
CID 131236926
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
CID 101206038

Frequently Asked Questions

What is the IUPAC name of diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium?
The IUPAC name of diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium (CID 101206039) is diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium.
What is the SMILES notation for diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium?
The canonical SMILES for diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium is CC[NH+](CC)C/C=C\C=C/C/C=C\Cc1ccc(C)cc1.
What is the InChIKey of diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium?
The InChIKey is LNYKIJHNIWDRBF-GCOHQANWSA-O. The full InChI is InChI=1S/C20H29N/c1-4-21(5-2)18-12-10-8-6-7-9-11-13-20-16-14-19(3)15-17-20/h6,8-12,14-17H,4-5,7,13,18H2,1-3H3/p+1/b8-6-,11-9-,12-10-.
What are the key properties of diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium?
diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium has a molecular weight of 284.47 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium is sourced from PubChem (CID 101206039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).