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

C14H23N3 — CID 64681857

IUPAC2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
SMILESCN1CCN(CCC(C)(C)N)c2ccccc21
InChIInChI=1S/C14H23N3/c1-14(2,15)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11,15H2,1-3H3
InChIKeyZRORQHUWTOAAMV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.07
Rot. Bonds3

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

2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine (PubChem CID 64681857) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
PubChem CID64681857
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
SMILESCN1CCN(CCC(C)(C)N)c2ccccc21
InChIInChI=1S/C14H23N3/c1-14(2,15)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11,15H2,1-3H3
InChIKeyZRORQHUWTOAAMV-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine (CID 64681857) is 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine is CN1CCN(CCC(C)(C)N)c2ccccc21.
What is the InChIKey of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine?
The InChIKey is ZRORQHUWTOAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,15)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11,15H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine?
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine is sourced from PubChem (CID 64681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).