5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine

C15H24N2O — CID 67960770

IUPAC5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-6-7-14(16-12-13)18-11-10-17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyZHGKWFQJHGMKLC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.85
Rot. Bonds4

About 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine

5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 67960770) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID67960770
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCC(C)(C)c1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-6-7-14(16-12-13)18-11-10-17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyZHGKWFQJHGMKLC-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 159099141
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
N-methyl-6-(2-pyrrolidin-1-ylethoxy)pyridin-2-amine
CID 80870610
5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 89169123
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
[6-(2-pyrrolidin-1-ylethoxy)pyridazin-3-yl]methanol
CID 61255515

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine (CID 67960770) is 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine is CC(C)(C)c1ccc(OCCN2CCCC2)nc1.
What is the InChIKey of 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is ZHGKWFQJHGMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)13-6-7-14(16-12-13)18-11-10-17-8-4-5-9-17/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine?
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 248.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 67960770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).