N-propyl-1-quinoxalin-5-ylhexan-1-amine

C17H25N3 — CID 105129498

IUPACN-propyl-1-quinoxalin-5-ylhexan-1-amine
SMILESCCCCCC(NCCC)c1cccc2nccnc12
InChIInChI=1S/C17H25N3/c1-3-5-6-9-15(18-11-4-2)14-8-7-10-16-17(14)20-13-12-19-16/h7-8,10,12-13,15,18H,3-6,9,11H2,1-2H3
InChIKeyGTHCAGIVZJEZJS-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.25
Rot. Bonds8

About N-propyl-1-quinoxalin-5-ylhexan-1-amine

N-propyl-1-quinoxalin-5-ylhexan-1-amine (PubChem CID 105129498) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-propyl-1-quinoxalin-5-ylhexan-1-amine.

Molecular Properties

Compound NameN-propyl-1-quinoxalin-5-ylhexan-1-amine
PubChem CID105129498
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-propyl-1-quinoxalin-5-ylhexan-1-amine
SMILESCCCCCC(NCCC)c1cccc2nccnc12
InChIInChI=1S/C17H25N3/c1-3-5-6-9-15(18-11-4-2)14-8-7-10-16-17(14)20-13-12-19-16/h7-8,10,12-13,15,18H,3-6,9,11H2,1-2H3
InChIKeyGTHCAGIVZJEZJS-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.25
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

N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-ethyl-1-quinolin-5-ylhexan-1-amine
CID 105020078
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-quinoxalin-5-ylhexan-1-amine?
The IUPAC name of N-propyl-1-quinoxalin-5-ylhexan-1-amine (CID 105129498) is N-propyl-1-quinoxalin-5-ylhexan-1-amine.
What is the SMILES notation for N-propyl-1-quinoxalin-5-ylhexan-1-amine?
The canonical SMILES for N-propyl-1-quinoxalin-5-ylhexan-1-amine is CCCCCC(NCCC)c1cccc2nccnc12.
What is the InChIKey of N-propyl-1-quinoxalin-5-ylhexan-1-amine?
The InChIKey is GTHCAGIVZJEZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-6-9-15(18-11-4-2)14-8-7-10-16-17(14)20-13-12-19-16/h7-8,10,12-13,15,18H,3-6,9,11H2,1-2H3.
What are the key properties of N-propyl-1-quinoxalin-5-ylhexan-1-amine?
N-propyl-1-quinoxalin-5-ylhexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-quinoxalin-5-ylhexan-1-amine is sourced from PubChem (CID 105129498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).