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

C18H31N3 — CID 63778981

IUPAC3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)N1CCN(C)c2ccccc21
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-18(15(3)4)21-11-10-20(5)16-8-6-7-9-17(16)21/h6-9,14-15,18-19H,10-13H2,1-5H3
InChIKeyCVMGSHCFCXEZJN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.21
Rot. Bonds6

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

3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 63778981) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID63778981
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)N1CCN(C)c2ccccc21
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-18(15(3)4)21-11-10-20(5)16-8-6-7-9-17(16)21/h6-9,14-15,18-19H,10-13H2,1-5H3
InChIKeyCVMGSHCFCXEZJN-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 63778981) is 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C(C)C)N1CCN(C)c2ccccc21.
What is the InChIKey of 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CVMGSHCFCXEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)12-19-13-18(15(3)4)21-11-10-20(5)16-8-6-7-9-17(16)21/h6-9,14-15,18-19H,10-13H2,1-5H3.
What are the key properties of 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine?
3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63778981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).