2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone

C22H32N2O — CID 3226660

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
SMILESCC1CC(C)(C)N(C(=O)CNCCC2=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
InChIKeyAMFNNUAJNVOMEE-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.79
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone

2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone (PubChem CID 3226660) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
PubChem CID3226660
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
SMILESCC1CC(C)(C)N(C(=O)CNCCC2=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
InChIKeyAMFNNUAJNVOMEE-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)ethyl-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]azanium
CID 7406325
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54815369
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
N-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]-4-phenylpiperazine-1-carbothioamide
CID 41286909
2-(cyclohexylmethylamino)-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459399
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
(4S)-N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 737950
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone (CID 3226660) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone is CC1CC(C)(C)N(C(=O)CNCCC2=CCCCC2)c2ccccc21.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone?
The InChIKey is AMFNNUAJNVOMEE-UHFFFAOYSA-N. 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.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone?
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone has a molecular weight of 340.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone is sourced from PubChem (CID 3226660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).