N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine

C13H16ClN3 — CID 104555379

IUPACN-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(C)C(C)CCl
InChIInChI=1S/C13H16ClN3/c1-9(8-14)17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3
InChIKeyXMYAXJAJUBLICH-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.00
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine

N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine (PubChem CID 104555379) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
PubChem CID104555379
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(C)C(C)CCl
InChIInChI=1S/C13H16ClN3/c1-9(8-14)17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3
InChIKeyXMYAXJAJUBLICH-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63760342
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
N,3-dimethyl-N-(2-methylprop-2-enyl)quinoxalin-2-amine
CID 133439230
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
CID 104555420
1-methoxy-3-[methyl-(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 62375523
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
methyl 2-[methyl-(3-methylquinoxalin-2-yl)amino]acetate
CID 62375684
1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
CID 79117532
3-methyl-N-pentan-2-ylquinoxalin-2-amine
CID 60734285
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 130588443
2-methyl-3-propan-2-yloxyquinoxaline
CID 1365294

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine (CID 104555379) is N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine is Cc1nc2ccccc2nc1N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine?
The InChIKey is XMYAXJAJUBLICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(8-14)17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine?
N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine is sourced from PubChem (CID 104555379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).