5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C18H26N2O — CID 15226997

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(NCCC1=CCCCC1)CCC2
InChIInChI=1S/C18H26N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h6,10-11,16,19H,2-5,7-9,12-13H2,1H3
InChIKeyIESFHNUYQQRZKH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.24
Rot. Bonds4

About 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 15226997) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID15226997
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(NCCC1=CCCCC1)CCC2
InChIInChI=1S/C18H26N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h6,10-11,16,19H,2-5,7-9,12-13H2,1H3
InChIKeyIESFHNUYQQRZKH-UHFFFAOYSA-N
XLogP3.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43766388
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 106173594
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione
CID 107851922
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405
5-(ethylamino)-1-(2-propoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 106454570
5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 107912995

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 15226997) is 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(ccc1=O)C(NCCC1=CCCCC1)CCC2.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is IESFHNUYQQRZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20-17-9-5-8-16(15(17)10-11-18(20)21)19-13-12-14-6-3-2-4-7-14/h6,10-11,16,19H,2-5,7-9,12-13H2,1H3.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 15226997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).