4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine

C15H23ClN2O — CID 158554165

IUPAC4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18)
InChIKeyBLNUEAUHEINXPU-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.01
Rot. Bonds2

About 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine

4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine (PubChem CID 158554165) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
PubChem CID158554165
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18)
InChIKeyBLNUEAUHEINXPU-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine (CID 158554165) is 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine is CC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1.
What is the InChIKey of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The InChIKey is BLNUEAUHEINXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18).
What are the key properties of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine has a molecular weight of 282.81 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 158554165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).