3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine

C13H16N4 — CID 102987398

IUPAC3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
SMILESCN(c1nc2ccccc2nc1N)C1CCC1
InChIInChI=1S/C13H16N4/c1-17(9-5-4-6-9)13-12(14)15-10-7-2-3-8-11(10)16-13/h2-3,7-9H,4-6H2,1H3,(H2,14,15)
InChIKeyKEAYDUABYHCCDD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.20
Rot. Bonds2

About 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine

3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine (PubChem CID 102987398) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
PubChem CID102987398
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
SMILESCN(c1nc2ccccc2nc1N)C1CCC1
InChIInChI=1S/C13H16N4/c1-17(9-5-4-6-9)13-12(14)15-10-7-2-3-8-11(10)16-13/h2-3,7-9H,4-6H2,1H3,(H2,14,15)
InChIKeyKEAYDUABYHCCDD-UHFFFAOYSA-N
XLogP2.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
3-N-methyl-3-N-(2-methylcyclohexyl)quinoxaline-2,3-diamine
CID 102986061
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
CID 80775432
N-cyclopropyl-N-methyl-3-[(E)-prop-1-enyl]quinoxalin-2-amine
CID 58327983
N-cyclopropyl-N-methyl-3-prop-1-enylquinoxalin-2-amine
CID 76761944
1-N,4-N-dimethyl-4-N-(3-methylquinoxalin-2-yl)cyclohexane-1,4-diamine
CID 79117532
3-N-methyl-3-N-propylquinoxaline-2,3-diamine
CID 102985418
2-N,3-N-dimethyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine
CID 71642511
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine (CID 102987398) is 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine is CN(c1nc2ccccc2nc1N)C1CCC1.
What is the InChIKey of 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine?
The InChIKey is KEAYDUABYHCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(9-5-4-6-9)13-12(14)15-10-7-2-3-8-11(10)16-13/h2-3,7-9H,4-6H2,1H3,(H2,14,15).
What are the key properties of 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine?
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine is sourced from PubChem (CID 102987398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).