2-tert-butyl-5-methoxypyridine;pyrrolidine

C14H24N2O — CID 145197740

IUPAC2-tert-butyl-5-methoxypyridine;pyrrolidine
SMILESC1CCNC1.COc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C10H15NO.C4H9N/c1-10(2,3)9-6-5-8(12-4)7-11-9;1-2-4-5-3-1/h5-7H,1-4H3;5H,1-4H2
InChIKeyXYOFRTAXNYFLRN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds1

About 2-tert-butyl-5-methoxypyridine;pyrrolidine

2-tert-butyl-5-methoxypyridine;pyrrolidine (PubChem CID 145197740) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxypyridine;pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-5-methoxypyridine;pyrrolidine
PubChem CID145197740
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-tert-butyl-5-methoxypyridine;pyrrolidine
SMILESC1CCNC1.COc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C10H15NO.C4H9N/c1-10(2,3)9-6-5-8(12-4)7-11-9;1-2-4-5-3-1/h5-7H,1-4H3;5H,1-4H2
InChIKeyXYOFRTAXNYFLRN-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxypyridine;pyrrolidine?
The IUPAC name of 2-tert-butyl-5-methoxypyridine;pyrrolidine (CID 145197740) is 2-tert-butyl-5-methoxypyridine;pyrrolidine.
What is the SMILES notation for 2-tert-butyl-5-methoxypyridine;pyrrolidine?
The canonical SMILES for 2-tert-butyl-5-methoxypyridine;pyrrolidine is C1CCNC1.COc1ccc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-5-methoxypyridine;pyrrolidine?
The InChIKey is XYOFRTAXNYFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C4H9N/c1-10(2,3)9-6-5-8(12-4)7-11-9;1-2-4-5-3-1/h5-7H,1-4H3;5H,1-4H2.
What are the key properties of 2-tert-butyl-5-methoxypyridine;pyrrolidine?
2-tert-butyl-5-methoxypyridine;pyrrolidine has a molecular weight of 236.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxypyridine;pyrrolidine is sourced from PubChem (CID 145197740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).