1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline

C17H25BrN2 — CID 65006589

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2(CBr)CCCCC2)c2ccccc21
InChIInChI=1S/C17H25BrN2/c1-19-11-12-20(16-8-4-3-7-15(16)19)14-17(13-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyGUINKVKZORKTCF-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.29
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 65006589) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID65006589
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2(CBr)CCCCC2)c2ccccc21
InChIInChI=1S/C17H25BrN2/c1-19-11-12-20(16-8-4-3-7-15(16)19)14-17(13-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyGUINKVKZORKTCF-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline (CID 65006589) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline is CN1CCN(CC2(CBr)CCCCC2)c2ccccc21.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is GUINKVKZORKTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-19-11-12-20(16-8-4-3-7-15(16)19)14-17(13-18)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-14H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline?
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 337.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 65006589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).