3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine

C15H22N4 — CID 102986815

IUPAC3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
SMILESCCC(C)CN(CC)c1nc2ccccc2nc1N
InChIInChI=1S/C15H22N4/c1-4-11(3)10-19(5-2)15-14(16)17-12-8-6-7-9-13(12)18-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZNLGEUOOWVYPCH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.08
Rot. Bonds5

About 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine

3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine (PubChem CID 102986815) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
PubChem CID102986815
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
SMILESCCC(C)CN(CC)c1nc2ccccc2nc1N
InChIInChI=1S/C15H22N4/c1-4-11(3)10-19(5-2)15-14(16)17-12-8-6-7-9-13(12)18-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZNLGEUOOWVYPCH-UHFFFAOYSA-N
XLogP3.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
CID 102986988
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
CID 79470782
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
3-N-methyl-3-N-propylquinoxaline-2,3-diamine
CID 102985418
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106769248
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
CID 79470870
3-N-(2-methoxyethyl)-3-N-propan-2-ylquinoxaline-2,3-diamine
CID 102987053

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine (CID 102986815) is 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine is CCC(C)CN(CC)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine?
The InChIKey is ZNLGEUOOWVYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-11(3)10-19(5-2)15-14(16)17-12-8-6-7-9-13(12)18-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,17).
What are the key properties of 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine?
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102986815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).