2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C16H29N3O — CID 63842748

IUPAC2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-7-12(8-2)11(3)18-14-10-9-13(17)15(19-14)20-16(4,5)6/h9-12H,7-8,17H2,1-6H3,(H,18,19)
InChIKeyGXRCMDPUWGTQLM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.08
Rot. Bonds6

About 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 63842748) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID63842748
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-7-12(8-2)11(3)18-14-10-9-13(17)15(19-14)20-16(4,5)6/h9-12H,7-8,17H2,1-6H3,(H,18,19)
InChIKeyGXRCMDPUWGTQLM-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 63842748) is 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CCC(CC)C(C)Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is GXRCMDPUWGTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-12(8-2)11(3)18-14-10-9-13(17)15(19-14)20-16(4,5)6/h9-12H,7-8,17H2,1-6H3,(H,18,19).
What are the key properties of 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 63842748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).