2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium

C22H33N2O+ — CID 7406325

IUPAC2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium
SMILESC[C@H]1CC(C)(C)N(C(=O)C[NH2+]CCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-17-15-22(2,3)24(20-12-8-7-11-19(17)20)21(25)16-23-14-13-18-9-5-4-6-10-18/h7-9,11-12,17,23H,4-6,10,13-16H2,1-3H3/p+1/t17-/m0/s1
InChIKeyAMFNNUAJNVOMEE-KRWDZBQOSA-O
MW341.52 g/mol
LogP3.76
Rot. Bonds5

About 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium

2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium (PubChem CID 7406325) has the molecular formula C22H33N2O+ and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium
PubChem CID7406325
Molecular FormulaC22H33N2O+
Molecular Weight341.52 g/mol
Exact Mass341.26
IUPAC Name2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium
SMILESC[C@H]1CC(C)(C)N(C(=O)C[NH2+]CCC2=CCCCC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-17-15-22(2,3)24(20-12-8-7-11-19(17)20)21(25)16-23-14-13-18-9-5-4-6-10-18/h7-9,11-12,17,23H,4-6,10,13-16H2,1-3H3/p+1/t17-/m0/s1
InChIKeyAMFNNUAJNVOMEE-KRWDZBQOSA-O
XLogP3.76
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
CID 3226660
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384
4-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butan-1-one
CID 132649789
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 903985
[2-[2-(azepan-1-yl)anilino]-2-oxoethyl]-[2-(cyclohexen-1-yl)ethyl]azanium
CID 7406900
(E)-3-phenyl-1-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]prop-2-en-1-one
CID 2384854
N-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]-4-phenylpiperazine-1-carbothioamide
CID 41286909
(4S)-N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 737950
(1S,9R,12S)-10-[2-(cyclohexen-1-yl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
CID 7425440
(1S,9R,12S)-10-[2-(cyclohexen-1-yl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylate
CID 7425439
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
CID 19690328
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium (CID 7406325) is 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium is C[C@H]1CC(C)(C)N(C(=O)C[NH2+]CCC2=CCCCC2)c2ccccc21.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium?
The InChIKey is AMFNNUAJNVOMEE-KRWDZBQOSA-O. The full InChI is InChI=1S/C22H32N2O/c1-17-15-22(2,3)24(20-12-8-7-11-19(17)20)21(25)16-23-14-13-18-9-5-4-6-10-18/h7-9,11-12,17,23H,4-6,10,13-16H2,1-3H3/p+1/t17-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium?
2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium has a molecular weight of 341.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium is sourced from PubChem (CID 7406325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).