4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C9H14N2O — CID 28994903

IUPAC4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1N
InChIInChI=1S/C9H14N2O/c1-9(2,3)12-8-4-5-11-6-7(8)10/h4-6H,10H2,1-3H3
InChIKeyCWLBFWIFRGLFKM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds1

About 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 28994903) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID28994903
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1N
InChIInChI=1S/C9H14N2O/c1-9(2,3)12-8-4-5-11-6-7(8)10/h4-6H,10H2,1-3H3
InChIKeyCWLBFWIFRGLFKM-UHFFFAOYSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 28994903) is 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1ccncc1N.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is CWLBFWIFRGLFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)12-8-4-5-11-6-7(8)10/h4-6H,10H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 166.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 28994903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).