[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine

C17H27N3O — CID 106872532

IUPAC[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine
SMILESCOC1CCCC(CN)(N2CCN(C)c3ccccc32)C1
InChIInChI=1S/C17H27N3O/c1-19-10-11-20(16-8-4-3-7-15(16)19)17(13-18)9-5-6-14(12-17)21-2/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3
InChIKeyGADCQGVVACOCNE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.23
Rot. Bonds3

About [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine

[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine (PubChem CID 106872532) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine
PubChem CID106872532
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine
SMILESCOC1CCCC(CN)(N2CCN(C)c3ccccc32)C1
InChIInChI=1S/C17H27N3O/c1-19-10-11-20(16-8-4-3-7-15(16)19)17(13-18)9-5-6-14(12-17)21-2/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3
InChIKeyGADCQGVVACOCNE-UHFFFAOYSA-N
XLogP2.23
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
CID 106822042
1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
CID 79587863
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine
CID 69238197
2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 106114846

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine (CID 106872532) is [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine is COC1CCCC(CN)(N2CCN(C)c3ccccc32)C1.
What is the InChIKey of [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine?
The InChIKey is GADCQGVVACOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-10-11-20(16-8-4-3-7-15(16)19)17(13-18)9-5-6-14(12-17)21-2/h3-4,7-8,14H,5-6,9-13,18H2,1-2H3.
What are the key properties of [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine?
[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 106872532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).