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

C16H27N3 — CID 63778737

IUPAC3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCCC(CC)C(CN)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3/c1-4-13(5-2)16(12-17)19-11-10-18(3)14-8-6-7-9-15(14)19/h6-9,13,16H,4-5,10-12,17H2,1-3H3
InChIKeyRMJVCUFOVDDFNW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.71
Rot. Bonds5

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

3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (PubChem CID 63778737) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
PubChem CID63778737
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
SMILESCCC(CC)C(CN)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H27N3/c1-4-13(5-2)16(12-17)19-11-10-18(3)14-8-6-7-9-15(14)19/h6-9,13,16H,4-5,10-12,17H2,1-3H3
InChIKeyRMJVCUFOVDDFNW-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine (CID 63778737) is 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is CCC(CC)C(CN)N1CCN(C)c2ccccc21.
What is the InChIKey of 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
The InChIKey is RMJVCUFOVDDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13(5-2)16(12-17)19-11-10-18(3)14-8-6-7-9-15(14)19/h6-9,13,16H,4-5,10-12,17H2,1-3H3.
What are the key properties of 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine?
3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine is sourced from PubChem (CID 63778737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).