N-(2-quinoxalin-2-yloxyethyl)propan-1-amine

C13H17N3O — CID 55063856

IUPACN-(2-quinoxalin-2-yloxyethyl)propan-1-amine
SMILESCCCNCCOc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-2-7-14-8-9-17-13-10-15-11-5-3-4-6-12(11)16-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyFMHJOAKFJIATDO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds6

About N-(2-quinoxalin-2-yloxyethyl)propan-1-amine

N-(2-quinoxalin-2-yloxyethyl)propan-1-amine (PubChem CID 55063856) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-quinoxalin-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-quinoxalin-2-yloxyethyl)propan-1-amine
PubChem CID55063856
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-quinoxalin-2-yloxyethyl)propan-1-amine
SMILESCCCNCCOc1cnc2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-2-7-14-8-9-17-13-10-15-11-5-3-4-6-12(11)16-13/h3-6,10,14H,2,7-9H2,1H3
InChIKeyFMHJOAKFJIATDO-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecoxyquinoxaline
CID 175436911
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
6-[2-(propylamino)ethoxy]pyridin-3-amine
CID 69235236
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43778393
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79330093
2-methoxy-N-(2-quinolin-3-yloxyethyl)ethanamine
CID 97034151
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565

Frequently Asked Questions

What is the IUPAC name of N-(2-quinoxalin-2-yloxyethyl)propan-1-amine?
The IUPAC name of N-(2-quinoxalin-2-yloxyethyl)propan-1-amine (CID 55063856) is N-(2-quinoxalin-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for N-(2-quinoxalin-2-yloxyethyl)propan-1-amine?
The canonical SMILES for N-(2-quinoxalin-2-yloxyethyl)propan-1-amine is CCCNCCOc1cnc2ccccc2n1.
What is the InChIKey of N-(2-quinoxalin-2-yloxyethyl)propan-1-amine?
The InChIKey is FMHJOAKFJIATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-7-14-8-9-17-13-10-15-11-5-3-4-6-12(11)16-13/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of N-(2-quinoxalin-2-yloxyethyl)propan-1-amine?
N-(2-quinoxalin-2-yloxyethyl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinoxalin-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 55063856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).