3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine

C14H20N4 — CID 102987232

IUPAC3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
SMILESCC(Nc1nc2ccccc2nc1N)C(C)(C)C
InChIInChI=1S/C14H20N4/c1-9(14(2,3)4)16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H2,15,17)(H,16,18)
InChIKeyJXTZSLZYPFJKEI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds2

About 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine

3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine (PubChem CID 102987232) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
PubChem CID102987232
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
SMILESCC(Nc1nc2ccccc2nc1N)C(C)(C)C
InChIInChI=1S/C14H20N4/c1-9(14(2,3)4)16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H2,15,17)(H,16,18)
InChIKeyJXTZSLZYPFJKEI-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
CID 102987287
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187
3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
CID 102984290
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine
CID 102987528
2-N-(3,3-dimethylbutan-2-yl)benzene-1,2-diamine
CID 104827391
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine (CID 102987232) is 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine is CC(Nc1nc2ccccc2nc1N)C(C)(C)C.
What is the InChIKey of 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine?
The InChIKey is JXTZSLZYPFJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(14(2,3)4)16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine?
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).