N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine

C15H22N2O — CID 81215579

IUPACN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCN(c1ccc2c(c1)CCCN2)C1CCOCC1
InChIInChI=1S/C15H22N2O/c1-17(13-6-9-18-10-7-13)14-4-5-15-12(11-14)3-2-8-16-15/h4-5,11,13,16H,2-3,6-10H2,1H3
InChIKeyNKALZZBUBPVZGB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine

N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 81215579) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID81215579
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCN(c1ccc2c(c1)CCCN2)C1CCOCC1
InChIInChI=1S/C15H22N2O/c1-17(13-6-9-18-10-7-13)14-4-5-15-12(11-14)3-2-8-16-15/h4-5,11,13,16H,2-3,6-10H2,1H3
InChIKeyNKALZZBUBPVZGB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine with MolForge

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Related Compounds

N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81214992
N-cyclohexyl-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215187
N-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214759
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215327
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine (CID 81215579) is N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine is CN(c1ccc2c(c1)CCCN2)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is NKALZZBUBPVZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(13-6-9-18-10-7-13)14-4-5-15-12(11-14)3-2-8-16-15/h4-5,11,13,16H,2-3,6-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine?
N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 246.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 81215579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).