N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine

C17H23N3O — CID 97312365

IUPACN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine
SMILESC[C@@H]1CCCC[C@H]1OCCNc1cnc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-13-6-2-5-9-16(13)21-11-10-18-17-12-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16H,2,5-6,9-11H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyQMWNOOZMQJMRQJ-CZUORRHYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds5

About N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine (PubChem CID 97312365) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine
PubChem CID97312365
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine
SMILESC[C@@H]1CCCC[C@H]1OCCNc1cnc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-13-6-2-5-9-16(13)21-11-10-18-17-12-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16H,2,5-6,9-11H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyQMWNOOZMQJMRQJ-CZUORRHYSA-N
XLogP3.64
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 ≤ 53.64
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-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94032457
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
3-(2-fluorophenyl)-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95153932
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
N'-(2-methoxyethyl)-N'-methyl-N-quinoxalin-2-ylethane-1,2-diamine
CID 55126580
N-[2-(4-methylsulfonylphenoxy)ethyl]quinoxalin-2-amine
CID 56781418
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
CID 60504727

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine?
The IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine (CID 97312365) is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine is C[C@@H]1CCCC[C@H]1OCCNc1cnc2ccccc2n1.
What is the InChIKey of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine?
The InChIKey is QMWNOOZMQJMRQJ-CZUORRHYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-6-2-5-9-16(13)21-11-10-18-17-12-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16H,2,5-6,9-11H2,1H3,(H,18,20)/t13-,16-/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine?
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine is sourced from PubChem (CID 97312365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).