N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine

C17H23N3O — CID 62198078

IUPACN-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCOC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyUQXJOXWHCJZCIA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine

N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine (PubChem CID 62198078) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
PubChem CID62198078
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCOC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyUQXJOXWHCJZCIA-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 63318491
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
CID 115698562
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130104
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine (CID 62198078) is N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine?
The InChIKey is UQXJOXWHCJZCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine?
N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 62198078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).