N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine

C14H15N3 — CID 105077278

IUPACN-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
SMILESC#CCC(NCC)c1cccc2nccnc12
InChIInChI=1S/C14H15N3/c1-3-6-12(15-4-2)11-7-5-8-13-14(11)17-10-9-16-13/h1,5,7-10,12,15H,4,6H2,2H3
InChIKeyLXIBMXADMHCPJK-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine

N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine (PubChem CID 105077278) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
PubChem CID105077278
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
SMILESC#CCC(NCC)c1cccc2nccnc12
InChIInChI=1S/C14H15N3/c1-3-6-12(15-4-2)11-7-5-8-13-14(11)17-10-9-16-13/h1,5,7-10,12,15H,4,6H2,2H3
InChIKeyLXIBMXADMHCPJK-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-methyl-3-pyridinyl)but-3-yn-1-amine
CID 105077584
N-ethyl-3-methyl-1-quinoxalin-5-ylpentan-1-amine
CID 105138311
N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-ethyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105157998
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
5-butan-2-ylquinoxaline
CID 123654553
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine?
The IUPAC name of N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine (CID 105077278) is N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine is C#CCC(NCC)c1cccc2nccnc12.
What is the InChIKey of N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine?
The InChIKey is LXIBMXADMHCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-6-12(15-4-2)11-7-5-8-13-14(11)17-10-9-16-13/h1,5,7-10,12,15H,4,6H2,2H3.
What are the key properties of N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine?
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine has a molecular weight of 225.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine is sourced from PubChem (CID 105077278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).