N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine

C17H27N3O — CID 103060215

IUPACN-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-18-15-8-11-21-13-14(15)12-20-10-9-19(2)16-6-4-5-7-17(16)20/h4-7,14-15,18H,3,8-13H2,1-2H3
InChIKeyFLUJOSXJTKPOCC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine

N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine (PubChem CID 103060215) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine
PubChem CID103060215
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-18-15-8-11-21-13-14(15)12-20-10-9-19(2)16-6-4-5-7-17(16)20/h4-7,14-15,18H,3,8-13H2,1-2H3
InChIKeyFLUJOSXJTKPOCC-UHFFFAOYSA-N
XLogP1.96
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
CID 79577784
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259707
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481
2-[[(3S,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177568
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
CID 103059310
2-[[(3R,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine (CID 103060215) is N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine is CCNC1CCOCC1CN1CCN(C)c2ccccc21.
What is the InChIKey of N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine?
The InChIKey is FLUJOSXJTKPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-18-15-8-11-21-13-14(15)12-20-10-9-19(2)16-6-4-5-7-17(16)20/h4-7,14-15,18H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine?
N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).