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

C13H21N3 — CID 63777654

IUPAC3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3/c1-11(7-8-14)16-10-9-15(2)12-5-3-4-6-13(12)16/h3-6,11H,7-10,14H2,1-2H3
InChIKeyOBVHURXANSRCGG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.68
Rot. Bonds3

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

3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine (PubChem CID 63777654) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
PubChem CID63777654
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
SMILESCC(CCN)N1CCN(C)c2ccccc21
InChIInChI=1S/C13H21N3/c1-11(7-8-14)16-10-9-15(2)12-5-3-4-6-13(12)16/h3-6,11H,7-10,14H2,1-2H3
InChIKeyOBVHURXANSRCGG-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The IUPAC name of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine (CID 63777654) is 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine.
What is the SMILES notation for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The canonical SMILES for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine is CC(CCN)N1CCN(C)c2ccccc21.
What is the InChIKey of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The InChIKey is OBVHURXANSRCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(7-8-14)16-10-9-15(2)12-5-3-4-6-13(12)16/h3-6,11H,7-10,14H2,1-2H3.
What are the key properties of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine is sourced from PubChem (CID 63777654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).