N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine

C15H20N4 — CID 55090959

IUPACN-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCN1c1cnc2ccccc2n1
InChIInChI=1S/C15H20N4/c1-2-16-10-12-6-5-9-19(12)15-11-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3
InChIKeyGDZLROGWLLZQJP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds4

About N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine

N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 55090959) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID55090959
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCN1c1cnc2ccccc2n1
InChIInChI=1S/C15H20N4/c1-2-16-10-12-6-5-9-19(12)15-11-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3
InChIKeyGDZLROGWLLZQJP-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
CID 97015354
2-[2-(bromomethyl)azepan-1-yl]quinoxaline
CID 116638719
N-[[1-(5-methyl-2-pyridinyl)piperidin-2-yl]methyl]ethanamine
CID 62593584
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710
N-[(1-quinolin-2-ylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62592330
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine
CID 115373034
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66332722
N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 105370506

Frequently Asked Questions

What is the IUPAC name of N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine (CID 55090959) is N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine is CCNCC1CCCN1c1cnc2ccccc2n1.
What is the InChIKey of N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is GDZLROGWLLZQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-16-10-12-6-5-9-19(12)15-11-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine?
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 55090959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).