N-ethyl-1-quinoxalin-5-ylheptan-1-amine

C17H25N3 — CID 105125906

IUPACN-ethyl-1-quinoxalin-5-ylheptan-1-amine
SMILESCCCCCCC(NCC)c1cccc2nccnc12
InChIInChI=1S/C17H25N3/c1-3-5-6-7-10-15(18-4-2)14-9-8-11-16-17(14)20-13-12-19-16/h8-9,11-13,15,18H,3-7,10H2,1-2H3
InChIKeySZQFLULRDZCBPW-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.25
Rot. Bonds8

About N-ethyl-1-quinoxalin-5-ylheptan-1-amine

N-ethyl-1-quinoxalin-5-ylheptan-1-amine (PubChem CID 105125906) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-1-quinoxalin-5-ylheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-quinoxalin-5-ylheptan-1-amine
PubChem CID105125906
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-1-quinoxalin-5-ylheptan-1-amine
SMILESCCCCCCC(NCC)c1cccc2nccnc12
InChIInChI=1S/C17H25N3/c1-3-5-6-7-10-15(18-4-2)14-9-8-11-16-17(14)20-13-12-19-16/h8-9,11-13,15,18H,3-7,10H2,1-2H3
InChIKeySZQFLULRDZCBPW-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-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
N-ethyl-1-quinolin-5-ylhexan-1-amine
CID 105020078
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N-ethyl-3-methyl-1-quinoxalin-5-ylpentan-1-amine
CID 105138311
N-ethyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105157998
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinoxalin-5-ylheptan-1-amine?
The IUPAC name of N-ethyl-1-quinoxalin-5-ylheptan-1-amine (CID 105125906) is N-ethyl-1-quinoxalin-5-ylheptan-1-amine.
What is the SMILES notation for N-ethyl-1-quinoxalin-5-ylheptan-1-amine?
The canonical SMILES for N-ethyl-1-quinoxalin-5-ylheptan-1-amine is CCCCCCC(NCC)c1cccc2nccnc12.
What is the InChIKey of N-ethyl-1-quinoxalin-5-ylheptan-1-amine?
The InChIKey is SZQFLULRDZCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-6-7-10-15(18-4-2)14-9-8-11-16-17(14)20-13-12-19-16/h8-9,11-13,15,18H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-1-quinoxalin-5-ylheptan-1-amine?
N-ethyl-1-quinoxalin-5-ylheptan-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-ethyl-1-quinoxalin-5-ylheptan-1-amine is sourced from PubChem (CID 105125906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).