N-hex-5-ynylquinoxalin-2-amine

C14H15N3 — CID 113255983

IUPACN-hex-5-ynylquinoxalin-2-amine
SMILESC#CCCCCNc1cnc2ccccc2n1
InChIInChI=1S/C14H15N3/c1-2-3-4-7-10-15-14-11-16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11H,3-4,7,10H2,(H,15,17)
InChIKeyDIYAHLLZWBCXDD-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.85
Rot. Bonds5

About N-hex-5-ynylquinoxalin-2-amine

N-hex-5-ynylquinoxalin-2-amine (PubChem CID 113255983) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-hex-5-ynylquinoxalin-2-amine.

Molecular Properties

Compound NameN-hex-5-ynylquinoxalin-2-amine
PubChem CID113255983
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-hex-5-ynylquinoxalin-2-amine
SMILESC#CCCCCNc1cnc2ccccc2n1
InChIInChI=1S/C14H15N3/c1-2-3-4-7-10-15-14-11-16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11H,3-4,7,10H2,(H,15,17)
InChIKeyDIYAHLLZWBCXDD-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-pent-4-ynylpyridin-2-amine
CID 103704473
6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine
CID 36784384
3-methyl-N-pent-4-ynylquinoxalin-2-amine
CID 103704423
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
N-hex-5-ynylaniline
CID 166956597
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
CID 49432129
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118662

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylquinoxalin-2-amine?
The IUPAC name of N-hex-5-ynylquinoxalin-2-amine (CID 113255983) is N-hex-5-ynylquinoxalin-2-amine.
What is the SMILES notation for N-hex-5-ynylquinoxalin-2-amine?
The canonical SMILES for N-hex-5-ynylquinoxalin-2-amine is C#CCCCCNc1cnc2ccccc2n1.
What is the InChIKey of N-hex-5-ynylquinoxalin-2-amine?
The InChIKey is DIYAHLLZWBCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-3-4-7-10-15-14-11-16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11H,3-4,7,10H2,(H,15,17).
What are the key properties of N-hex-5-ynylquinoxalin-2-amine?
N-hex-5-ynylquinoxalin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylquinoxalin-2-amine is sourced from PubChem (CID 113255983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).