2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C17H31N3O — CID 43587829

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCC(CC)CN(CC)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C17H31N3O/c1-7-13(8-2)12-20(9-3)15-11-10-14(18)16(19-15)21-17(4,5)6/h10-11,13H,7-9,12,18H2,1-6H3
InChIKeyUMYNENSTQXYAEU-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.10
Rot. Bonds7

About 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43587829) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43587829
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCC(CC)CN(CC)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C17H31N3O/c1-7-13(8-2)12-20(9-3)15-11-10-14(18)16(19-15)21-17(4,5)6/h10-11,13H,7-9,12,18H2,1-6H3
InChIKeyUMYNENSTQXYAEU-UHFFFAOYSA-N
XLogP4.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43587829) is 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CCC(CC)CN(CC)c1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is UMYNENSTQXYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-13(8-2)12-20(9-3)15-11-10-14(18)16(19-15)21-17(4,5)6/h10-11,13H,7-9,12,18H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 293.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43587829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).