2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine

C12H18N2O — CID 126724591

IUPAC2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine
SMILESCC(C)(C)c1cc(NC2COC2)ccn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11-6-9(4-5-13-11)14-10-7-15-8-10/h4-6,10H,7-8H2,1-3H3,(H,13,14)
InChIKeySTXAMNAPWXYVTO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.19
Rot. Bonds2

About 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine

2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine (PubChem CID 126724591) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine
PubChem CID126724591
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine
SMILESCC(C)(C)c1cc(NC2COC2)ccn1
InChIInChI=1S/C12H18N2O/c1-12(2,3)11-6-9(4-5-13-11)14-10-7-15-8-10/h4-6,10H,7-8H2,1-3H3,(H,13,14)
InChIKeySTXAMNAPWXYVTO-UHFFFAOYSA-N
XLogP2.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine?
The IUPAC name of 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine (CID 126724591) is 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine is CC(C)(C)c1cc(NC2COC2)ccn1.
What is the InChIKey of 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine?
The InChIKey is STXAMNAPWXYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)11-6-9(4-5-13-11)14-10-7-15-8-10/h4-6,10H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine?
2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine is sourced from PubChem (CID 126724591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).