3-methyl-N-pentan-2-ylquinoxalin-2-amine

C14H19N3 — CID 60734285

IUPAC3-methyl-N-pentan-2-ylquinoxalin-2-amine
SMILESCCCC(C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3/c1-4-7-10(2)15-14-11(3)16-12-8-5-6-9-13(12)17-14/h5-6,8-10H,4,7H2,1-3H3,(H,15,17)
InChIKeyCXVNZWRZTRKFEN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-N-pentan-2-ylquinoxalin-2-amine

3-methyl-N-pentan-2-ylquinoxalin-2-amine (PubChem CID 60734285) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-N-pentan-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-pentan-2-ylquinoxalin-2-amine
PubChem CID60734285
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-N-pentan-2-ylquinoxalin-2-amine
SMILESCCCC(C)Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H19N3/c1-4-7-10(2)15-14-11(3)16-12-8-5-6-9-13(12)17-14/h5-6,8-10H,4,7H2,1-3H3,(H,15,17)
InChIKeyCXVNZWRZTRKFEN-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentan-2-ylquinoxalin-2-amine?
The IUPAC name of 3-methyl-N-pentan-2-ylquinoxalin-2-amine (CID 60734285) is 3-methyl-N-pentan-2-ylquinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-pentan-2-ylquinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-pentan-2-ylquinoxalin-2-amine is CCCC(C)Nc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-pentan-2-ylquinoxalin-2-amine?
The InChIKey is CXVNZWRZTRKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-7-10(2)15-14-11(3)16-12-8-5-6-9-13(12)17-14/h5-6,8-10H,4,7H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-N-pentan-2-ylquinoxalin-2-amine?
3-methyl-N-pentan-2-ylquinoxalin-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-2-ylquinoxalin-2-amine is sourced from PubChem (CID 60734285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).