3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine

C14H20N4O — CID 102987528

IUPAC3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine
SMILESCCOC(C)(C)CNc1nc2ccccc2nc1N
InChIInChI=1S/C14H20N4O/c1-4-19-14(2,3)9-16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-8H,4,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyRBIQZMHAOWTVIK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds5

About 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine

3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine (PubChem CID 102987528) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine
PubChem CID102987528
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine
SMILESCCOC(C)(C)CNc1nc2ccccc2nc1N
InChIInChI=1S/C14H20N4O/c1-4-19-14(2,3)9-16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-8H,4,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyRBIQZMHAOWTVIK-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
CID 102987287
4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
CID 114944660
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 114941479
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
CID 102987489
3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
CID 102984126
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983976
1-[(2-ethoxy-2-methylpropyl)amino]isoquinoline-3-carboxylic acid
CID 114942702

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine (CID 102987528) is 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine is CCOC(C)(C)CNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine?
The InChIKey is RBIQZMHAOWTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-14(2,3)9-16-13-12(15)17-10-7-5-6-8-11(10)18-13/h5-8H,4,9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine?
3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).