3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine

C14H15N3 — CID 106231233

IUPAC3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine
SMILESC#CC(CC)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N3/c1-4-11(5-2)16-14-10(3)15-12-8-6-7-9-13(12)17-14/h1,6-9,11H,5H2,2-3H3,(H,16,17)
InChIKeyRVHQWNYFDVLLOP-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine

3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine (PubChem CID 106231233) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine
PubChem CID106231233
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine
SMILESC#CC(CC)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N3/c1-4-11(5-2)16-14-10(3)15-12-8-6-7-9-13(12)17-14/h1,6-9,11H,5H2,2-3H3,(H,16,17)
InChIKeyRVHQWNYFDVLLOP-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine?
The IUPAC name of 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine (CID 106231233) is 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine is C#CC(CC)Nc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine?
The InChIKey is RVHQWNYFDVLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-4-11(5-2)16-14-10(3)15-12-8-6-7-9-13(12)17-14/h1,6-9,11H,5H2,2-3H3,(H,16,17).
What are the key properties of 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine?
3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-1-yn-3-ylquinoxalin-2-amine is sourced from PubChem (CID 106231233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).