N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine

C15H25N3 — CID 63778604

IUPACN-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H25N3/c1-13(7-6-10-16-2)18-12-11-17(3)14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3
InChIKeyGPXWSKRMFSGARB-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine

N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (PubChem CID 63778604) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
PubChem CID63778604
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCNCCCC(C)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H25N3/c1-13(7-6-10-16-2)18-12-11-17(3)14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3
InChIKeyGPXWSKRMFSGARB-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The IUPAC name of N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (CID 63778604) is N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The canonical SMILES for N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is CNCCCC(C)N1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The InChIKey is GPXWSKRMFSGARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(7-6-10-16-2)18-12-11-17(3)14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is sourced from PubChem (CID 63778604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).