3-N-methyl-3-N-propylquinoxaline-2,3-diamine

C12H16N4 — CID 102985418

IUPAC3-N-methyl-3-N-propylquinoxaline-2,3-diamine
SMILESCCCN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C12H16N4/c1-3-8-16(2)12-11(13)14-9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3,(H2,13,14)
InChIKeyRAELXKUHGISBIV-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.06
Rot. Bonds3

About 3-N-methyl-3-N-propylquinoxaline-2,3-diamine

3-N-methyl-3-N-propylquinoxaline-2,3-diamine (PubChem CID 102985418) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-N-methyl-3-N-propylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-propylquinoxaline-2,3-diamine
PubChem CID102985418
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-N-methyl-3-N-propylquinoxaline-2,3-diamine
SMILESCCCN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C12H16N4/c1-3-8-16(2)12-11(13)14-9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3,(H2,13,14)
InChIKeyRAELXKUHGISBIV-UHFFFAOYSA-N
XLogP2.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-3-N-propylquinoxaline-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-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
CID 102987357
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
CID 102986988
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
CID 102987398
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
CID 80776135
2-N,6-dimethyl-2-N-propylpyridine-2,3-diamine
CID 81133237
3-N-(2-methoxyethyl)-3-N-propan-2-ylquinoxaline-2,3-diamine
CID 102987053
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-propylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-propylquinoxaline-2,3-diamine (CID 102985418) is 3-N-methyl-3-N-propylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-propylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-propylquinoxaline-2,3-diamine is CCCN(C)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-methyl-3-N-propylquinoxaline-2,3-diamine?
The InChIKey is RAELXKUHGISBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-8-16(2)12-11(13)14-9-6-4-5-7-10(9)15-12/h4-7H,3,8H2,1-2H3,(H2,13,14).
What are the key properties of 3-N-methyl-3-N-propylquinoxaline-2,3-diamine?
3-N-methyl-3-N-propylquinoxaline-2,3-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-propylquinoxaline-2,3-diamine is sourced from PubChem (CID 102985418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).