1-quinoxalin-2-ylhexan-1-amine

C14H19N3 — CID 107357026

IUPAC1-quinoxalin-2-ylhexan-1-amine
SMILESCCCCCC(N)c1cnc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-2-3-4-7-11(15)14-10-16-12-8-5-6-9-13(12)17-14/h5-6,8-11H,2-4,7,15H2,1H3
InChIKeyJOUSIOQTRSPCDP-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.21
Rot. Bonds5

About 1-quinoxalin-2-ylhexan-1-amine

1-quinoxalin-2-ylhexan-1-amine (PubChem CID 107357026) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-quinoxalin-2-ylhexan-1-amine.

Molecular Properties

Compound Name1-quinoxalin-2-ylhexan-1-amine
PubChem CID107357026
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-quinoxalin-2-ylhexan-1-amine
SMILESCCCCCC(N)c1cnc2ccccc2n1
InChIInChI=1S/C14H19N3/c1-2-3-4-7-11(15)14-10-16-12-8-5-6-9-13(12)17-14/h5-6,8-11H,2-4,7,15H2,1H3
InChIKeyJOUSIOQTRSPCDP-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-2-yloctan-1-amine
CID 63222846
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
2-(1-chloropentan-2-yl)quinoxaline
CID 174360163
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
1-(5-methylpyrazin-2-yl)hexan-1-amine
CID 105129918
(3-ethyl-1-quinoxalin-2-ylheptyl)hydrazine
CID 107357824
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
CID 107356915
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
2-octylquinoxaline
CID 141276580

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylhexan-1-amine?
The IUPAC name of 1-quinoxalin-2-ylhexan-1-amine (CID 107357026) is 1-quinoxalin-2-ylhexan-1-amine.
What is the SMILES notation for 1-quinoxalin-2-ylhexan-1-amine?
The canonical SMILES for 1-quinoxalin-2-ylhexan-1-amine is CCCCCC(N)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylhexan-1-amine?
The InChIKey is JOUSIOQTRSPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-4-7-11(15)14-10-16-12-8-5-6-9-13(12)17-14/h5-6,8-11H,2-4,7,15H2,1H3.
What are the key properties of 1-quinoxalin-2-ylhexan-1-amine?
1-quinoxalin-2-ylhexan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylhexan-1-amine is sourced from PubChem (CID 107357026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).