3-methyl-N-pent-4-ynylquinoxalin-2-amine

C14H15N3 — CID 103704423

IUPAC3-methyl-N-pent-4-ynylquinoxalin-2-amine
SMILESC#CCCCNc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N3/c1-3-4-7-10-15-14-11(2)16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,17)
InChIKeyPDHXFOPWDMTMMF-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-N-pent-4-ynylquinoxalin-2-amine

3-methyl-N-pent-4-ynylquinoxalin-2-amine (PubChem CID 103704423) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-N-pent-4-ynylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-pent-4-ynylquinoxalin-2-amine
PubChem CID103704423
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-pent-4-ynylquinoxalin-2-amine
SMILESC#CCCCNc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N3/c1-3-4-7-10-15-14-11(2)16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,17)
InChIKeyPDHXFOPWDMTMMF-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.76
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-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
N-pent-4-ynylpyridin-2-amine
CID 103704473
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
3-methyl-N-prop-2-enylquinoxalin-2-amine
CID 60734557
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
CID 102913999
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
CID 115698562

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-4-ynylquinoxalin-2-amine?
The IUPAC name of 3-methyl-N-pent-4-ynylquinoxalin-2-amine (CID 103704423) is 3-methyl-N-pent-4-ynylquinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-pent-4-ynylquinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-pent-4-ynylquinoxalin-2-amine is C#CCCCNc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-pent-4-ynylquinoxalin-2-amine?
The InChIKey is PDHXFOPWDMTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-4-7-10-15-14-11(2)16-12-8-5-6-9-13(12)17-14/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,17).
What are the key properties of 3-methyl-N-pent-4-ynylquinoxalin-2-amine?
3-methyl-N-pent-4-ynylquinoxalin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-4-ynylquinoxalin-2-amine is sourced from PubChem (CID 103704423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).